SCHEMBL6970341

SCHEMBL6970341

COc1cccc(-c2[nH]nc3c2CCc2ccccc2-3)c1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.48
LMNA P02545 4/20 0.48
HPGD P15428 4/20 0.48
POLB P06746 4/20 0.48
NPC1 O15118 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
TP53 P04637 2/20 0.48
HTT P42858 2/20 0.48
MAPK1 P28482 1/20 0.48
BLM P54132 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
RAB9A P51151 1/20 0.46
PDGFRB P09619 2/20 0.45
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
GSR P00390 1/20 0.44
GAA P10253 1/20 0.44
ATM Q13315 1/20 0.43

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
SCHEMBL11863138 0.88 PDGFRB (0.55) PDGFRBHIF1ACHEK1KDR
SCHEMBL11863126 0.83 KDR (0.58) PDGFRBHIF1ACHEK1KDR
SCHEMBL11865968 0.78 NPC1 (0.53) NPC1RAB9AGSRDCUN1D1CHEK1
SCHEMBL6962802 0.78 CDK4 (0.51) MAPTHPGDPOLBNPC1MEN1
SCHEMBL6970097 0.77 NPC1 (0.47) MAPTLMNAHPGDPOLBNPC1
SCHEMBL6961876 0.75 NPC1 (0.50) MAPTHPGDNPC1TP53HTT
SCHEMBL11861088 0.75 KDR (0.56) LMNAHPGDNPC1SMN1; SMN2RAB9A
SCHEMBL32690218 0.74 NPC1 (0.48) NPC1RAB9APDGFRBALDH1A1GSR
SCHEMBL11839656 0.73 NPC1 (0.51) MAPTLMNAHPGDNPC1MEN1
SCHEMBL11863593 0.73 NPC1 (0.48) MAPTLMNAHPGDPOLBNPC1

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 4 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-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