SCHEMBL8503797

SCHEMBL8503797

CCOc1ccc(C(=O)c2c(Cl)cc(Cl)cc2Cl)cc1Cn1ncccc1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.44
▸ MAPK10 P53779 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.39
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ PTGER1 P34995 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ RAD52 P43351 1/20 0.37
▸ F10 P00742 1/20 0.37
▸ LMNA P02545 3/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ IDO1 P14902 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36

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
SCHEMBL8505614 0.92 NLRP3 (0.41) MAPK1MAPK10ALDH1A1SMN1; SMN2USP2
SCHEMBL8505812 0.90 ADRB2 (0.42) MAPK1ALDH1A1USP2POLBKMT2A
SCHEMBL8504781 0.88 MAPK1 (0.39) MAPK1MAPK10ALDH1A1NPC1RAB9A
SCHEMBL8502188 0.87 GAA (0.38) MAPK1MAPK10NPC1RAB9ASMN1; SMN2
SCHEMBL8504729 0.85 IDO1 (0.41) ALDH1A1RAB9ASMN1; SMN2POLBKMT2A
SCHEMBL8506457 0.84 IDO1 (0.39) MAPK1ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL8502112 0.83 IDO1 (0.40) ALDH1A1SMN1; SMN2POLBIDO1CYP1A2
SCHEMBL8502514 0.83 IDO1 (0.40) ALDH1A1SMN1; SMN2KMT2AIDO1TP53
SCHEMBL8503177 0.82 POLB (0.38) MAPK1ALDH1A1USP2PTGER1POLB
SCHEMBL8504974 0.79 ALDH1A1 (0.38) MAPK1MAPK10ALDH1A1NPC1RAB9A

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
US-5886178-A ADMINISTERING OF A PROSTAGLANDIN G/H SYNTHASE INHIBITOR TO A PATIENT TO TREAT INFLAMMATORY OR AUTOIMMUNE DISEASES SYNTEX (U.S.A.) INC. (US) 1999-03-23 — — US disclosed
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