SCHEMBL6991385

SCHEMBL6991385

O=C(COc1cc[c]cc1)NCCN1CCOCC1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.65
LMNA P02545 1/20 0.63
MAPK1 P28482 2/20 0.62
HBB P68871 1/20 0.62
BCHE P06276 1/20 0.57
ACHE P22303 1/20 0.57
POLB P06746 3/20 0.57
KDM4E B2RXH2 2/20 0.56
KMT2A Q03164 1/20 0.56
ALDH1A1 P00352 3/20 0.54
GLA P06280 1/20 0.54
GAA P10253 1/20 0.54
HPGD P15428 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.53
ABL1 P00519 1/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7006102 0.87 POLB (0.65) HSD17B10LMNAMAPK1HBBPOLB
SCHEMBL28748217 0.86 HSD17B10 (0.66) HSD17B10LMNAMAPK1HBBBCHE
SCHEMBL14694126 0.82 BCHE (0.57) HSD17B10LMNAMAPK1HBBBCHE
SCHEMBL14694091 0.78 LMNA (0.64) HSD17B10LMNAMAPK1HBBBCHE
SCHEMBL3042131 0.78 CD274 (0.71) POLBKDM4EALDH1A1HPGD
SCHEMBL4612975 0.78 HSD17B10 (0.60) HSD17B10MAPK1BCHEACHEPOLB
SCHEMBL16063146 0.76 BCHE (0.70) HSD17B10LMNAMAPK1HBBBCHE
SCHEMBL3761624 0.75 SMN1; SMN2 (0.72) LMNAPOLBKMT2ASMN1; SMN2
SCHEMBL21644789 0.75 MAPK1 (0.65) HSD17B10LMNAMAPK1HBBBCHE
SCHEMBL10459429 0.75 MAPK1 (0.59) HSD17B10LMNAMAPK1HBBBCHE

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1335836-A Tricyclic pyrazole derivatives BASF AG (DE) 2002-02-13 CN claimed
EP-1127051-A2 TRICYCLIC PYRAZOLE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2001-08-29 EP claimed
WO-2000027822-A2 TRICYCLIC PYRAZOLE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2000-05-18 WO claimed
EP-1165544-B1 SUBSTITUTED 1,4-DIHYDROINDENO[1,2-C]PYRAZOLES AS INHIBITORS OF TYROSINE KINASE KNOLL GMBH (DE) 2003-08-06 EP disclosed
EP-1289525-A2 TRICYCLIC PYRAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS Abbott GmbH & Co. KG (DE) 2003-03-12 EP disclosed
EP-1268437-A1 INHIBITORS OF PROTEIN KINASES Knoll GmbH (DE) 2003-01-02 EP disclosed
US-6462036-B1 INHIBITING SIGNAL TRANSDUCTION BY MODULATING ACTIVITY OF RECEPTOR AND NONRECEPTOR TYROSINE AND SERINE/THREONINE KINASES TO REGULATE AND MODULATE ABNORMAL OR INAPPROPRIATE CELL PROLIFERATION, DIFFERENTIATION, OR METABOLISM BASF AKTIENGESELLSCHAFT (DE) 2002-10-08 US disclosed
CN-1368970-A Substituted 1,4-dihydroindeno [1,2-C] pyrazoles as inhibitors of tyrosine kinase KNOLL GMBH (DE) 2002-09-11 CN disclosed
WO-2002030908-A1 INHIBITORS OF PROTEIN KINASES KNOLL GMBH (DE) 2002-04-18 WO disclosed
CN-1335836-A Tricyclic pyrazole derivatives BASF AG (DE) 2002-02-13 CN disclosed
EP-1165544-A1 SUBSTITUTED 1,4-DIHYDROINDENO[1,2-C]PYRAZOLES AS INHIBITORS OF TYROSINE KINASE BASF AKTIENGESELLSCHAFT (DE) 2002-01-02 EP disclosed
WO-2001087846-A2 TRICYCLIC PYRAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS ABBOTT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG & COMPANY KOMMANDITGESELLSCHAFT (DE) 2001-11-22 WO disclosed
US-6297238-B1 3-ARYL PYRAZOLES WITH 4,5(3,4)-BICYCLIC RING FUSION WHICH ARE INHIBITORS OF PROTEIN KINASES PARTICULARLY TYROSINE KINASES AND SERINE/THREONINE KINASES BASF AKTIENGESELLSCHAFT (DE) 2001-10-02 US disclosed
EP-1127051-A2 TRICYCLIC PYRAZOLE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2001-08-29 EP disclosed
WO-2000059901-A1 SUBSTITUTED 1,4-DIHYDROINDENO[1,2-C]PYRAZOLES AS INHIBITORS OF TYROSINE KINASE KNOLL GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 2000-10-12 WO disclosed
WO-2000027822-A2 TRICYCLIC PYRAZOLE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2000-05-18 WO disclosed