SCHEMBL4580483

SCHEMBL4580483

COc1ccc2c(c1)ncn2S

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 6/20 0.58
ALDH1A1 P00352 6/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MAPT P10636 2/20 0.48
HTT P42858 4/20 0.46
HPGD P15428 2/20 0.46
MAPK1 P28482 1/20 0.46
MAPK10 P53779 1/20 0.46
NCOA1 Q15788 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46
KDR P35968 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
TSHR P16473 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
LMNA P02545 2/20 0.42
POLB P06746 2/20 0.42
KDM4E B2RXH2 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL230452 0.80 FGFR1 (0.59) FGFR1ALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL19848367 0.79 FGFR1 (0.59) FGFR1ALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL4969035 0.78 FGFR1 (0.44) FGFR1HPGDKMT2AGAA
SCHEMBL11054271 0.77 FGFR1 (0.56) FGFR1ALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL19911344 0.77 FGFR1 (0.56) FGFR1ALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL6758619 0.76 NPC1 (0.65) FGFR1ALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL19848228 0.76 FGFR1 (0.55) FGFR1ALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL18937429 0.76 FGFR1 (0.55) FGFR1ALDH1A1SMN1; SMN2MAPTHTT
SCHEMBL1975997 0.76 FGFR1 (0.54) FGFR1ALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL19848128 0.75 FGFR1 (0.54) FGFR1ALDH1A1SMN1; SMN2MAPTHTT

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
CN-115785067-A Preparation method of impurity compound of esomeprazole thioether 北京京卫燕康药物研究所有限公司 2023-03-14 CN claimed
US-20080012014-A1 Thin film transistor, method of preparing the same, and flat panel display device including the thin film transistor SAMSUNG DISPLAY CO., LTD. (KR) 2008-01-17 US disclosed