SCHEMBL9729449

SCHEMBL9729449

CC(C)c1ccc(C(=O)NC(C)c2cccs2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.51
ALDH1A1 P00352 3/20 0.51
POLB P06746 1/20 0.51
HPGD P15428 1/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
GFER P55789 1/20 0.47
HPGDS O60760 1/20 0.46
TDP1 Q9NUW8 2/20 0.46
TP53 P04637 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 2/20 0.46
LMNA P02545 1/20 0.46
RAB9A P51151 2/20 0.45
ROCK2 O75116 1/20 0.45
RPS6KA5 O75582 1/20 0.45
MAP4K4 O95819 1/20 0.45
CDK1 P06493 1/20 0.45
CSF1R P07333 1/20 0.45
PRKACA P17612 1/20 0.45
FLT1 P17948 1/20 0.45

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
SCHEMBL10441845 0.88 RAB9A (0.52) MAPTALDH1A1POLBHPGDL3MBTL1
SCHEMBL10441789 0.87 RAB9A (0.54) MAPTALDH1A1POLBHPGDL3MBTL1
SCHEMBL2653231 0.86 ALDH1A1 (0.58) MAPTALDH1A1POLBHPGDL3MBTL1
SCHEMBL10441942 0.85 ALDH1A1 (0.60) MAPTALDH1A1POLBHPGDL3MBTL1
SCHEMBL10441794 0.85 NPC1 (0.60) MAPTALDH1A1POLBHPGDL3MBTL1
SCHEMBL10441732 0.84 MEN1 (0.60) MAPTALDH1A1POLBHPGDL3MBTL1
SCHEMBL10441734 0.84 MAPT (0.50) MAPTALDH1A1POLBHPGDL3MBTL1
SCHEMBL10441725 0.83 L3MBTL1 (0.55) MAPTALDH1A1POLBHPGDL3MBTL1
SCHEMBL10442009 0.82 HPGD (0.60) MAPTALDH1A1POLBHPGDL3MBTL1
SCHEMBL3112918 0.82 ROCK1 (0.65) MAPTALDH1A1POLBHPGDL3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5117000-A Preparation of N-[(1-(thienyl)alkyl]amine derivative DAIKIN INDUSTRIES, LTD. (JP) 1992-05-26 US disclosed
EP-0348505-A1 NOVEL N-(1-THIENYLETHYL)AMINE DERIVATIVES AND HERBICIDES CONTAINING THE SAME AS EFFECTIVE INGREDIENT DAIKIN INDUSTRIES, LIMITED (JP) 1990-01-03 EP disclosed