SCHEMBL9135107

SCHEMBL9135107

Cc1ccsc1NCC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 1/20 0.41
▸ POLB P06746 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ KDM6B O15054 1/20 0.38
▸ KDM4A O75164 1/20 0.38
▸ KDM5C P41229 1/20 0.38
▸ KDM4D Q6B0I6 1/20 0.38
▸ KDM4C Q9H3R0 1/20 0.38
▸ SLCO1B1 Q9Y6L6 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ PKM P14618 2/20 0.37
▸ FFAR1 O14842 1/20 0.37
▸ ALOX5 P09917 1/20 0.37
▸ ITGB3 P05106 1/20 0.37

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
SCHEMBL4993142 0.78 PTPN2 (0.36) POLBKMT2ATDP1NPC1TP53
SCHEMBL9135517 0.77 MAPT (0.37) GSK3BNPC1TP53MAPTHPGD
SCHEMBL5049650 0.76 PKM (0.45) GSK3BPOLBKMT2AKDM4ENPC1
SCHEMBL11498343 0.75 PTK2 (0.56) KMT2AKDM4ENPC1TP53MAPT
SCHEMBL15165515 0.74 — —
SCHEMBL9135364 0.74 CTNNB1 (0.38) POLBKDM4EMAPK8PTPN2PTPRB
SCHEMBL6857304 0.72 PTPN2 (0.48) GSK3BPOLBKMT2AKDM4ENPC1
SCHEMBL27780906 0.72 KDM4E (0.42) POLBKMT2AKDM4ENPC1HPGD
Hydrochloric Acid SCHEMBL6775496 0.71 ALDH1A1 (0.38) GSK3BKMT2AKDM4ENPC1RAB9A
SCHEMBL12213152 0.71 PTK2 (0.59) GSK3BPOLBTDP1NPC1TP53

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-5475106-A Agonist for cholecystokinin and gastrin receptors; nervous system, gastrointestinal disorders RHONE-POULENC RORER S.A. (FR) 1995-12-12 — — US disclosed
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