SCHEMBL7001340

SCHEMBL7001340

CCN(CC)CCNC(=O)CCCOc1c[c]ccc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.49
HPGD P15428 4/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP3A4 P08684 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
GAA P10253 1/20 0.44
RECQL P46063 1/20 0.43
POLB P06746 1/20 0.41
LMNA P02545 1/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GLS O94925 1/20 0.40

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
SCHEMBL7701481 0.87 CYP1A2 (0.63) HPGDMEN1KMT2ACYP1A2CYP2D6
SCHEMBL7001422 0.85 CYP1A2 (0.54) SMN1; SMN2HPGDMEN1KMT2ACYP1A2
SCHEMBL7568865 0.85 SMN1; SMN2 (0.66) SMN1; SMN2HPGDMEN1KMT2ACYP1A2
SCHEMBL1283116 0.79 KDM4E (0.49) KDM4E
SCHEMBL929624 0.78 KDM4E (0.51) SMN1; SMN2MEN1KMT2ACYP1A2CYP2D6
SCHEMBL7833557 0.78 GAA (0.48) SMN1; SMN2HPGDMEN1KMT2ACYP1A2
SCHEMBL3168795 0.74 MAPT (0.43) SMN1; SMN2HPGDMEN1KMT2ALMNA
SCHEMBL3154717 0.73 L3MBTL1 (0.68) HPGDMEN1KMT2ARECQLALDH1A1
SCHEMBL3170270 0.73 PDK2 (0.46) SMN1; SMN2CYP2D6GAALMNA
SCHEMBL7003433 0.72 L3MBTL1 (0.42) SMN1; SMN2HPGDKMT2ATAAR1GAA

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

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