SCHEMBL14398035

SCHEMBL14398035

COc1ccc2[nH]c3c(c2c1)CN(C(=O)O)CCC3=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BAZ2B Q9UIF8 1/20 0.60
▸ KDR P35968 2/20 0.55
▸ CFTR P13569 9/20 0.52
▸ KDM4E B2RXH2 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ MAPT P10636 2/20 0.51
▸ HPGD P15428 2/20 0.51
▸ MTNR1A P48039 1/20 0.51
▸ MTNR1B P49286 1/20 0.51
▸ MAPKAPK2 P49137 3/20 0.50
▸ CYP1A2 P05177 2/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ ESR1 P03372 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ CYP1A1 P04798 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ NFKB2 Q00653 1/20 0.49
▸ KMT2A Q03164 1/20 0.49

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
SCHEMBL13852783 0.87 LMNA (0.58) BAZ2BKDRCFTRKDM4EALDH1A1
SCHEMBL29171356 0.85 BAZ2B (0.82) BAZ2BKDRCFTRCYP1A2SMN1; SMN2
SCHEMBL13852919 0.83 CYP1A2 (0.67) BAZ2BKDRKDM4EALDH1A1MAPT
SCHEMBL5372790 0.82 BAZ2B (0.67) BAZ2BKDRCFTRMAPKAPK2CYP1A2
SCHEMBL8794276 0.79 KDM4E (0.68) KDM4EALDH1A1MAPTHPGDMTNR1A
SCHEMBL4142893 0.76 KDM4E (0.69) KDM4EALDH1A1MAPTHPGDMTNR1A
SCHEMBL6234998 0.76 KDM4E (0.65) KDM4EALDH1A1MAPTHPGDMTNR1A
SCHEMBL28465408 0.75 BAZ2B (0.67) BAZ2BKDRCFTRMAPTCYP1A2
SCHEMBL8036170 0.73 BAZ2B (0.82) BAZ2BKDRCFTRCYP1A2NFKB1
SCHEMBL28464447 0.73 BAZ2B (0.64) BAZ2BKDRCFTRKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007120333-A2 TETRACYCLIC KINASE INHIBITORS GENENTECH, INC. (US) 2007-10-25 — — WO disclosed
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