SCHEMBL11083135

SCHEMBL11083135

Cn1nc2c(sc3cc(Cl)ccc32)c1N

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 10/20 0.51
▸ LIMK1 P53667 2/20 0.40
▸ MAPT P10636 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ MEN1 O00255 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ BCKDK O14874 1/20 0.35
▸ MCL1 Q07820 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ PIM1 P11309 1/20 0.35
▸ PIM2 Q9P1W9 1/20 0.35
▸ GAA P10253 1/20 0.33
▸ TSHR P16473 1/20 0.33

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
SCHEMBL11077508 0.78 LIMK1 (0.49) HRH4LIMK1MAPTKMT2AMEN1
SCHEMBL11082423 0.75 PIM1 (0.40) HRH4LIMK1MAPTSMN1; SMN2PIM1
SCHEMBL15223343 0.69 BCKDK (0.50) HRH4LIMK1MAPTKMT2AMEN1
SCHEMBL605516 0.68 HRH4 (1.00) HRH4
SCHEMBL11125003 0.68 AHR (0.42) HRH4KMT2AALDH1A1MCL1
SCHEMBL20356905 0.66 LIMK1 (0.53) HRH4LIMK1KMT2AALDH1A1
SCHEMBL20363803 0.66 LIMK1 (0.44) HRH4LIMK1MAPTKMT2AMEN1
SCHEMBL21835885 0.66 HRH4 (0.46) HRH4LIMK1MAPTKMT2AMEN1
SCHEMBL11126598 0.65 ALDH1A1 (0.51) HRH4KMT2AALDH1A1PIM1PIM2
SCHEMBL4922527 0.65 BCKDK (0.53) MAPTKMT2AMEN1ALDH1A1HPGD

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-4431657-A Analgesic compositions consisting of 2H-benzothieno[3,2-c]pyrazol-3-amine derivatives AYERST, MCKENNA & HARRISON INC. (CA) 1984-02-14 — — US disclosed
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