SCHEMBL899366

SCHEMBL899366

COc1ccc(-c2cnc(N(Cc3ccccc3)c3ccccc3)s2)cc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B2 P37059 2/20 0.46
TSHR P16473 1/20 0.41
ALOX5 P09917 1/20 0.41
HDAC1 Q13547 2/20 0.41
ACKR3 P25106 1/20 0.40
NOS1 P29475 1/20 0.40
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CSNK2A2 P19784 1/20 0.39
CSNK2A1 P68400 1/20 0.39
MAPK1 P28482 1/20 0.39
APP P05067 2/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL899302 0.87 CCNE1 (0.42) HDAC1NPC1RAB9ALMNA
SCHEMBL899508 0.86 HDAC1 (0.47) HDAC1ACKR3NPC1RAB9ALMNA
SCHEMBL899084 0.84 KCNH2 (0.38) TSHRHDAC1ACKR3NPC1RAB9A
SCHEMBL903025 0.82 HDAC1 (0.40) TSHRHDAC1
SCHEMBL902944 0.81 HDAC1 (0.38) HDAC1
SCHEMBL10977488 0.77 TSHR (0.45) TSHRNOS1NPC1RAB9AMAPK1
SCHEMBL10045592 0.76 ALDH1A1 (0.39) TSHRNPC1RAB9AMAPK1SMN1; SMN2
SCHEMBL27827514 0.75 LTA4H (0.55) TSHRNPC1RAB9AMAPK1LMNA
SCHEMBL899484 0.74 ALDH1A1 (0.38) TSHRNPC1RAB9ALMNASMN1; SMN2
SCHEMBL899467 0.74 ALDH1A1 (0.44) ACKR3NPC1RAB9ALMNASMN1; SMN2

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
WO-2012040754-A2 NOVEL THIAZOLAMINE DERIVATES AS DIFFERENTIATION ACCELERATORS TECHNISCHE UNIVERSITÄT WIEN (AT) 2012-04-05 WO disclosed