SCHEMBL14950909

SCHEMBL14950909

CC/C(C)=N/OC(=O)Nc1cc(NC(=O)NC(N)=S)ccc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.39
▸ LMNA P02545 3/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ MAPT P10636 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ NLRP3 Q96P20 1/20 0.39
▸ MEN1 O00255 2/20 0.37
▸ ATM Q13315 1/20 0.37
▸ FAAH O00519 4/20 0.36
▸ GAA P10253 2/20 0.35
▸ SMO Q99835 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ HDAC3 O15379 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34

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
SCHEMBL14950759 0.96 ALDH1A1 (0.39) ALDH1A1LMNAMAPK1MAPTKMT2A
SCHEMBL15386863 0.87 ALDH1A1 (0.49) ALDH1A1LMNAMAPK1KMT2ANPC1
SCHEMBL25129205 0.87 ALDH1A1 (0.49) ALDH1A1LMNAMAPK1KMT2ANPC1
SCHEMBL14950792 0.81 MAPT (0.52) ALDH1A1LMNAMAPTKMT2ANPC1
SCHEMBL24784487 0.78 SMN1; SMN2 (0.48) LMNAMAPTKMT2ANLRP3MEN1
SCHEMBL14887276 0.76 LMNA (0.44) ALDH1A1LMNAMAPK1NPC1RAB9A
SCHEMBL1577281 0.72 FAAH (0.60) ALDH1A1MAPK1MAPTKMT2AMEN1
SCHEMBL14884332 0.70 FAAH (0.41) ALDH1A1KMT2ANPC1RAB9AMEN1
SCHEMBL11399068 0.70 NLRP3 (0.58) ALDH1A1LMNAMAPK1MAPTKMT2A
SCHEMBL14950809 0.70 ALDH1A1 (0.43) ALDH1A1MAPTKMT2ANPC1RAB9A

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
US-8956423-B2 Method of increasing chlorine fastness HUNTSMAN INTERNATIONAL LLC (US) 2015-02-17 — — US disclosed
US-20140259455-A1 Method of Increasing Chlorine Fastness HUNTSMAN INTERNATIONAL LLC (US) 2014-09-18 — — US disclosed
WO-2013068207-A2 METHOD OF INCREASING CHLORINE FASTNESS HUNTSMAN ADVANCED MATERIALS (SWITZERLAND) GMBH (CH) 2013-05-16 — — WO disclosed
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