SCHEMBL29837345

SCHEMBL29837345

O=C(Nc1ccc(S)cc1)c1ccc2ccc3cccc4ccc1c2c34

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DEGS1 O15121 1/20 0.49
▸ NPC1 O15118 4/20 0.48
▸ RAB9A P51151 4/20 0.48
▸ PLG P00747 2/20 0.46
▸ KLK1 P06870 2/20 0.46
▸ KLK6 Q92876 2/20 0.46
▸ KMT2A Q03164 8/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ HPGD P15428 2/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ GLA P06280 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ MEN1 O00255 7/20 0.45
▸ MAPT P10636 2/20 0.44
▸ NR1H4 Q96RI1 1/20 0.44
▸ ALOX15 P16050 1/20 0.39
▸ GAA P10253 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
SCHEMBL23112987 1.00 DEGS1 (0.49) DEGS1NPC1RAB9APLGKLK1
SCHEMBL19300097 0.78 DEGS1 (0.42) DEGS1NPC1RAB9APLGKLK1
SCHEMBL14081212 0.77 L3MBTL1 (0.56) DEGS1NPC1RAB9AKMT2AKDM4E
SCHEMBL14107299 0.76 MAOA (0.43) DEGS1NPC1RAB9APLGKLK1
SCHEMBL19241708 0.75 KDM4E (0.53) NPC1RAB9AKMT2AKDM4EALDH1A1
SCHEMBL15856051 0.74 ALDH1A1 (0.57) PLGKLK1KLK6KMT2AKDM4E
SCHEMBL14081206 0.73 KMT2A (0.46) DEGS1NPC1RAB9APLGKLK1
SCHEMBL8885243 0.72 DHPS (0.55) DEGS1NPC1RAB9AKMT2AMEN1
SCHEMBL29537012 0.72 ALDH1A1 (0.57) KMT2AKDM4EALDH1A1HPGDCYP1A2
SCHEMBL308494 0.72 ALDH1A1 (0.57) KMT2AKDM4EALDH1A1HPGDCYP1A2

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-114902040-A Sensor based on organic electrochemical transistor 瓦洛泰克公司 2022-08-12 — — CN claimed
CN-114902040-A Sensor based on organic electrochemical transistor 瓦洛泰克公司 2022-08-12 — — CN disclosed
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