SCHEMBL11060559

SCHEMBL11060559

CSc1ccc(C(=O)c2cccn2C)[nH]1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ MAOB P27338 2/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ RAB9A P51151 5/20 0.38
▸ NPC1 O15118 4/20 0.38
▸ PKM P14618 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37
▸ RELA Q04206 1/20 0.37
▸ HDAC3 O15379 1/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC7 Q8WUI4 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC10 Q969S8 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ HDAC5 Q9UQL6 1/20 0.35

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
SCHEMBL11083710 0.80 CNR2 (0.37) HSD17B10KMT2A
SCHEMBL9792221 0.78 SMN1; SMN2 (0.50) SMN1; SMN2HSD17B10MAOBKMT2ARAB9A
SCHEMBL11058847 0.75 SMN1; SMN2 (0.40) SMN1; SMN2HSD17B10MAOBKMT2ARAB9A
SCHEMBL526662 0.74 SMN1; SMN2 (0.58) SMN1; SMN2HSD17B10MAOBKMT2ARAB9A
SCHEMBL9690019 0.71 SMN1; SMN2 (0.45) SMN1; SMN2HSD17B10MAOBKMT2ARAB9A
SCHEMBL80996 0.68 — —
SCHEMBL24164415 0.68 RAB9A (0.50) SMN1; SMN2HSD17B10MAOBKMT2ARAB9A
SCHEMBL194181 0.67 — —
SCHEMBL11056573 0.67 MAPT (0.45) SMN1; SMN2HSD17B10KMT2ARAB9ANPC1
SCHEMBL9337819 0.66 RAB9A (0.61) SMN1; SMN2HSD17B10MAOBKMT2ARAB9A

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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