SCHEMBL11133573

SCHEMBL11133573

Clc1ccc2nsc(-c3ccccc3)c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.49
▸ MAPT P10636 5/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ LMNA P02545 2/20 0.49
▸ HPGD P15428 2/20 0.49
▸ MAPK1 P28482 4/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ HTT P42858 2/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ KDM4E B2RXH2 5/20 0.44
▸ GAA P10253 2/20 0.44
▸ MAT2A P31153 1/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ TP53 P04637 2/20 0.42
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ FTO Q9C0B1 1/20 0.41
▸ FABP3 P05413 1/20 0.41

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
SCHEMBL11363260 0.83 HSP90AB1 (0.49) SMN1; SMN2MAPTALDH1A1LMNAHPGD
SCHEMBL9955458 0.74 ALDH1A1 (0.43) SMN1; SMN2MAPTALDH1A1LMNAHPGD
SCHEMBL9722805 0.71 NR4A2 (0.47) SMN1; SMN2MAPTALDH1A1LMNAHPGD
SCHEMBL11210238 0.69 SMN1; SMN2 (0.49) SMN1; SMN2MAPTALDH1A1LMNAHPGD
SCHEMBL3486575 0.67 KDM4E (0.71) SMN1; SMN2MAPTALDH1A1LMNAHPGD
SCHEMBL3575071 0.67 MAPK1 (0.67) SMN1; SMN2MAPTALDH1A1LMNAHPGD
SCHEMBL29059116 0.67 ESR1 (0.67) SMN1; SMN2MAPTALDH1A1LMNAHPGD
SCHEMBL11826284 0.67 MAPK1 (0.65) SMN1; SMN2MAPTALDH1A1LMNAHPGD
SCHEMBL10864591 0.67 MAPK1 (0.65) SMN1; SMN2MAPTALDH1A1LMNAHPGD
SCHEMBL8956330 0.67 MAPK1 (0.85) SMN1; SMN2MAPTALDH1A1LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-58225017-A — — None — — JP disclosed
JP-S58225017-A AGENT FOR ELIMINATING CANCER CHUGAI PHARMACEUT CO LTD 1983-12-27 — — JP disclosed
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