SCHEMBL6963874

SCHEMBL6963874

COc1ccc2c(c1)CCC2=NNC(=O)OC(C)(C)C

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.65
RAB9A P51151 6/20 0.65
SMN1; SMN2 Q16637 5/20 0.65
NPC1 O15118 3/20 0.65
ALDH1A1 P00352 5/20 0.47
NFKB1 P19838 2/20 0.47
NFKB2 Q00653 2/20 0.47
RELA Q04206 2/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
KDM4E B2RXH2 3/20 0.47
GLA P06280 2/20 0.47
GAA P10253 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HTT P42858 1/20 0.42
MAPK1 P28482 1/20 0.41

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
SCHEMBL6963872 1.00 MAPT (0.65) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL17808122 0.84 SMN1; SMN2 (0.47) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL6961978 0.82 SMN1; SMN2 (0.67) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL6961982 0.82 SMN1; SMN2 (0.67) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL23678344 0.80 MAPT (0.68) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL20205809 0.80 MAPT (0.68) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL22815598 0.76 MAPT (0.62) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL21098691 0.74 NR1I3 (0.43) MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL355824 0.72 HTT (0.57) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL355825 0.72 HTT (0.57) MAPTRAB9ASMN1; SMN2NPC1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1023063-B1 INDENO[1,2-c], NAPHTHO[1,2-c]- AND BENZO[6,7]CYCLOHEPTA[1,2-c]PYRAZOLE DERIVATIVES ABBOTT GMBH & CO KG (DE) 2003-09-10 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
US-6451834-B1 Indeno[1,2-c]-, naphtho[1,2-c]- and benzo[6,7]cyclohepta[1,2-c]pyrazole derivatives BASF AKTIENGESELLSCHAFT (DE) 2002-09-17 US disclosed
EP-1023063-A1 INDENO 1,2-c]-, NAPHTHO 1,2-c]- AND BENZO 6,7]CYCLOHEPTA 1,2-c]PYRAZOLE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2000-08-02 EP disclosed
WO-1999017769-A1 INDENO[1,2-c]-, NAPHTHO[1,2-c]- AND BENZO[6,7]CYCLOHEPTA[1,2-c]PYRAZOLE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1999-04-15 WO disclosed