SCHEMBL10518648

SCHEMBL10518648

CCOCC(=O)Nc1cc(C)c(-c2csc(N)n2)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CG P48736 1/20 0.44
▸ ALDH1A1 P00352 14/20 0.43
▸ SMN1; SMN2 Q16637 8/20 0.43
▸ RAB9A P51151 7/20 0.43
▸ NPC1 O15118 6/20 0.43
▸ TP53 P04637 3/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ HTT P42858 4/20 0.43
▸ MAPK1 P28482 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ MAPT P10636 6/20 0.41
▸ KMT2A Q03164 5/20 0.40
▸ MEN1 O00255 4/20 0.40
▸ LMNA P02545 3/20 0.40
▸ CLK1 P49759 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ CDK5 Q00535 1/20 0.39
▸ CDK5R1 Q15078 1/20 0.39
▸ PKM P14618 1/20 0.38
▸ TDP1 Q9NUW8 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
SCHEMBL10524090 0.86 PIK3CG (0.47) PIK3CGALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL10868877 0.80 PIK3CG (0.63) PIK3CGALDH1A1SMN1; SMN2NPC1HTT
Hydrochloric Acid SCHEMBL10870013 0.79 PIK3CG (0.61) PIK3CGALDH1A1SMN1; SMN2NPC1HTT
SCHEMBL10519095 0.70 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2RAB9ANPC1TP53
SCHEMBL10518084 0.70 ALDH1A1 (0.68) PIK3CGALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL16434151 0.65 ALDH1A1 (0.56) PIK3CGALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL11723023 0.62 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2RAB9AKDM4EKMT2A
SCHEMBL4534987 0.62 PIK3CG (1.00) PIK3CGALDH1A1SMN1; SMN2NPC1HTT
SCHEMBL10713902 0.62 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2RAB9ANPC1TP53
SCHEMBL16632865 0.61 PIK3CG (0.45) PIK3CGALDH1A1SMN1; SMN2RAB9ANPC1

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
EP-0183191-B1 THIENYLTHIAZOLE COMPOUNDS Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1989-05-10 — — EP claimed
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