SCHEMBL11056573

SCHEMBL11056573

CSc1ccc(C(=O)c2ccc(F)cc2)[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.45
▸ LTA4H P09960 1/20 0.44
▸ CES2 O00748 1/20 0.39
▸ CES1 P23141 1/20 0.39
▸ TSHR P16473 3/20 0.39
▸ HPGD P15428 2/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ PDE4A P27815 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ PMP22 Q01453 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ PDE4C Q08493 1/20 0.39
▸ PDE4D Q08499 1/20 0.39
▸ ATM Q13315 1/20 0.39
▸ PDE3B Q13370 1/20 0.39

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
SCHEMBL4030308 0.71 LTA4H (0.53) MAPTLTA4HCES2CES1TSHR
SCHEMBL11064162 0.70 RAB9A (0.52) MAPTCES2CES1TSHRNPSR1
SCHEMBL7674517 0.69 LTA4H (0.43) LTA4HCES2CES1HPGDHSD17B10
SCHEMBL238259 0.69 LTA4H (0.73) MAPTLTA4HCES2CES1TSHR
SCHEMBL1736339 0.69 LTA4H (0.73) MAPTLTA4HCES2CES1TSHR
SCHEMBL8572071 0.69 LTA4H (0.73) MAPTLTA4HCES2CES1TSHR
SCHEMBL11060559 0.67 SMN1; SMN2 (0.41) NFKB1HSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL7678700 0.67 LMNA (0.43) MAPTLTA4HCES2CES1HPGD
SCHEMBL29983601 0.66 LTA4H (0.70) MAPTLTA4HCES2CES1TSHR
SCHEMBL30632245 0.66 LTA4H (0.70) MAPTLTA4HCES2CES1TSHR

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
US-4458081-A ANTIINFLAMMATORY, ANALGESIC, ANTICOAGULANT, MUSCLE RELAXANT SYNTEX (U.S.A.) INC. (US) 1984-07-03 — — US disclosed
US-4454326-A 5-Aroyl 6-chloro or 6-bromo 1,2-dihydro-3H-pyrrolo[1,2-a]pyrrole-1,1-di-carboxylates SYNTEX (U.S.A.) INC. (US) 1984-06-12 — — US disclosed
US-4347187-A Process for preparing 5-aroyl 1,2-dihydro-3H-pyrrolo[1,2-a]pyrrole-1-carboxylic acids and novel intermediates therein SYNTEX (U.S.A.) INC. (US) 1982-08-31 — — US disclosed
US-4347186-A Process for preparing 5-aroyl 1,2-dihydro-3-H pyrrolo[1,2-a]pyrrole-1-carboxylic acids and novel intermediates therein SYNTEX (U.S.A.) INC. (US) 1982-08-31 — — US disclosed
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