SCHEMBL4964605

SCHEMBL4964605

Cc1c(C(=O)O)n[nH]c1-c1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HAO2 Q9NYQ3 1/20 0.53
▸ CA12 O43570 1/20 0.46
▸ ALPL P05186 1/20 0.46
▸ RPA1 P27694 1/20 0.46
▸ HCAR2 Q8TDS4 2/20 0.46
▸ MAPT P10636 1/20 0.44
▸ LMNA P02545 1/20 0.43
▸ BCL2L1 Q07817 1/20 0.42
▸ BAD Q92934 1/20 0.42

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
SCHEMBL570062 0.85 PIN1 (0.47) HAO2ALPLHCAR2LMNA
SCHEMBL16197762 0.84 ALPL (0.46) CA12ALPLHCAR2MAPTLMNA
SCHEMBL22637413 0.77 CA12 (0.46) HAO2CA12ALPLRPA1MAPT
SCHEMBL5255490 0.76 MAPK14 (0.61) HAO2
SCHEMBL7646423 0.76 HAO2 (0.49) HAO2CA12ALPLRPA1
SCHEMBL27658275 0.75 HAO2 (0.54) HAO2HCAR2LMNA
SCHEMBL569780 0.75 BRD4 (0.48) HCAR2
Water SCHEMBL5256024 0.75 MAPK14 (0.59) HAO2
SCHEMBL20074772 0.75 HAO2 (0.42) HAO2CA12ALPLRPA1HCAR2
SCHEMBL14705882 0.74 HAO2 (0.44) HAO2CA12ALPLRPA1BCL2L1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957461-A1 BISAMIDE INHIBITORS OF HEDGEHOG SIGNALING Genentech, Inc. (US) 2008-08-20 — — EP disclosed
WO-2007059157-A1 BISAMIDE INHIBITORS OF HEDGEHOG SIGNALING GENENTECH, INC. (US) 2007-05-24 — — WO disclosed
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