SCHEMBL11206271

SCHEMBL11206271

O=C(COc1ccc(Cc2ncc[nH]2)cc1)Nc1nnn[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALPL P05186 6/20 0.46
▸ NPC1 O15118 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ PKM P14618 1/20 0.46
▸ MAPT P10636 3/20 0.42
▸ LMNA P02545 1/20 0.42
▸ TAAR1 Q96RJ0 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ ALOX12 P18054 1/20 0.39
▸ CYP1A2 P05177 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ ALPI P09923 1/20 0.38
▸ ALPG P10696 1/20 0.38
▸ P2RY14 Q15391 1/20 0.38

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
SCHEMBL11207092 0.81 GAA (0.59) ALPLNPC1RAB9ASMN1; SMN2PKM
SCHEMBL10947493 0.81 TAAR1 (0.49) ALPLNPC1RAB9ASMN1; SMN2PKM
SCHEMBL11213148 0.79 RAB9A (0.52) NPC1RAB9ASMN1; SMN2PKMMAPT
SCHEMBL11208093 0.78 NPC1 (0.62) NPC1RAB9ASMN1; SMN2PKMMAPT
SCHEMBL10852193 0.77 TAAR1 (0.57) SMN1; SMN2MAPTTAAR1ALDH1A1
Hydrochloric Acid SCHEMBL10854378 0.76 TAAR1 (0.55) SMN1; SMN2MAPTTAAR1ALDH1A1
SCHEMBL10945831 0.76 TAAR1 (0.51) RAB9ASMN1; SMN2MAPTTAAR1ALDH1A1
Hydrochloric Acid SCHEMBL10854139 0.74 TAAR1 (0.54) SMN1; SMN2MAPTTAAR1ALDH1A1
SCHEMBL11206265 0.74 TBXAS1 (0.61) ALPLNPC1RAB9ASMN1; SMN2PKM
SCHEMBL11407592 0.73 NPC1 (0.57) NPC1RAB9ASMN1; SMN2PKMMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0035863-B1 IMIDAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS THEREOF Pfizer Limited (GB) 1983-10-26 — — EP claimed
US-4350696-A INHIBITORS OF THROMBOXANE SYNTHETASE ENZYME PFIZER INC. (US) 1982-09-21 — — US claimed
EP-0035863-A1 Imidazole derivatives, process for their preparation and pharmaceutical compositions thereof Pfizer Limited (GB) 1981-09-16 — — EP claimed
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