SCHEMBL28163904

SCHEMBL28163904

COc1ccc(SC)nc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.40
▸ L3MBTL1 Q9Y468 4/20 0.40
▸ TDP1 Q9NUW8 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.39
▸ KDM4E B2RXH2 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ POLB P06746 2/20 0.36
▸ PLA2G1B P04054 1/20 0.36
▸ ATG4B Q9Y4P1 1/20 0.36
▸ NQO2 P16083 2/20 0.35
▸ HTT P42858 2/20 0.35

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
SCHEMBL7226169 0.77 ALDH1A1 (0.42) MAPTL3MBTL1TDP1MEN1KMT2A
SCHEMBL24156632 0.76 PARP2 (0.37) MAPTL3MBTL1ALDH1A1KDM4ERAB9A
SCHEMBL5431429 0.74 ALDH1A1 (0.44) MAPTL3MBTL1TDP1MEN1KMT2A
SCHEMBL2252229 0.71 MCHR1 (0.48) MAPTL3MBTL1TDP1MEN1KMT2A
SCHEMBL31511503 0.71 MCHR1 (0.48) MAPTL3MBTL1TDP1MEN1KMT2A
SCHEMBL5696517 0.71 ALDH1A1 (0.41) MAPTL3MBTL1TDP1MEN1KMT2A
SCHEMBL5189074 0.68 POLB (0.44) MAPTL3MBTL1MEN1KMT2AKDM4E
SCHEMBL16533298 0.68 S1PR4 (0.53) MAPTL3MBTL1TDP1MEN1KMT2A
SCHEMBL29131000 0.68 MAPT (0.36) MAPTL3MBTL1MEN1KMT2ACYP1A2
SCHEMBL30602424 0.68 MAPT (0.36) MAPTL3MBTL1MEN1KMT2ACYP1A2

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
CN-105377837-B N (heteroaryl) sulfamide derivative as S100 inhibitor 活跃生物技术有限公司 2017-08-04 — — CN disclosed
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