SCHEMBL7006102

SCHEMBL7006102

O=C(CCCOc1cc[c]cc1)NCCN1CCOCC1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.65
HSD17B10 Q99714 3/20 0.54
KMT2A Q03164 4/20 0.50
MEN1 O00255 2/20 0.50
KDM4E B2RXH2 1/20 0.50
TSHR P16473 1/20 0.49
LMNA P02545 2/20 0.48
MAPK1 P28482 1/20 0.48
HBB P68871 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
THRB P10828 1/20 0.48

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
SCHEMBL7095242 0.88 POLB (0.68) POLBHSD17B10KMT2AMEN1KDM4E
SCHEMBL6991385 0.87 HSD17B10 (0.65) POLBHSD17B10KMT2AKDM4ELMNA
SCHEMBL6994588 0.81 HSD17B10 (0.56) POLBHSD17B10KMT2AMEN1KDM4E
SCHEMBL19043225 0.80 POLB (0.98) POLBHSD17B10KMT2AMEN1LMNA
SCHEMBL1442766 0.79 HRH3 (0.69) TSHRLMNAMAPK1ALDH1A1
SCHEMBL20029 0.78 NPC1 (0.61) KDM4ETSHRLMNAMAPK1ALDH1A1
SCHEMBL3130524 0.76 USP2 (0.71) POLBKMT2AMEN1KDM4ELMNA
SCHEMBL12299330 0.75 HSD17B10 (0.51) POLBHSD17B10KMT2AMEN1KDM4E
SCHEMBL4467676 0.75 HPGD (0.53) KMT2AMEN1LMNAMAPK1ALDH1A1
SCHEMBL3042131 0.75 CD274 (0.71) POLBKDM4EALDH1A1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
WO-2002030908-A1 INHIBITORS OF PROTEIN KINASES KNOLL GMBH (DE) 2002-04-18 WO 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
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
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