SCHEMBL11546145

SCHEMBL11546145

CNC(=O)N(S)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ROCK2 O75116 1/20 0.41
HDAC1 Q13547 4/20 0.39
HDAC2 Q92769 4/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
NR4A2 P43354 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
PNPLA2 Q96AD5 1/20 0.39
ALDH1A1 P00352 2/20 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
SCHEMBL11372476 0.89 LMNA (0.42) SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL11545872 0.83 MAPT (0.47) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL8905438 0.80 ROCK2 (0.60) MAPTSMN1; SMN2ROCK2HDAC6PNPLA2
SCHEMBL11150730 0.79 ALDH1A1 (0.36) MAPTSMN1; SMN2ROCK2NPC1ALDH1A1
SCHEMBL11543446 0.79 ALDH1A1 (0.47) MAPTSMN1; SMN2HDAC1HDAC2HDAC6
SCHEMBL11546205 0.79 RAB9A (0.43) SMN1; SMN2HDAC1HDAC6RAB9AALDH1A1
SCHEMBL5412087 0.78 DHODH (0.40) MAPTSMN1; SMN2HDAC1HDAC2HDAC6
SCHEMBL11550075 0.78 TDP1 (0.40) MAPTSMN1; SMN2ROCK2HDAC1HDAC2
SCHEMBL4053439 0.76 MAPT (0.44) MAPTSMN1; SMN2NPC1RAB9AHPGD
SCHEMBL8906338 0.76 MEN1 (0.57) MAPTSMN1; SMN2ROCK2HDAC1HDAC6

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-4148799-A Process for the preparation of 2-aryliminothiazoline solutions BAYER AKTIENGESELLSCHAFT (DE) 1979-04-10 US disclosed