SCHEMBL31038328

SCHEMBL31038328

COc1ccc(SCc2ccccc2)nc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ RAB9A P51151 4/20 0.49
▸ L3MBTL1 Q9Y468 3/20 0.49
▸ ALDH1A1 P00352 4/20 0.47
▸ NPC1 O15118 3/20 0.47
▸ HPGD P15428 3/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ MAPT P10636 2/20 0.47
▸ CYP2E1 P05181 2/20 0.47
▸ CYP2C8 P10632 2/20 0.47
▸ CYP2D6 P10635 2/20 0.47
▸ CYP2C9 P11712 2/20 0.47
▸ CYP2B6 P20813 2/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ NFKB1 P19838 2/20 0.47
▸ NFKB2 Q00653 2/20 0.47
▸ RELA Q04206 2/20 0.47
▸ TP53 P04637 1/20 0.47

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
SCHEMBL1818021 1.00 KMT2A (0.51) KMT2AKDM4EMEN1RAB9AL3MBTL1
SCHEMBL30434649 0.89 RAB9A (0.43) KMT2AKDM4EMEN1RAB9AL3MBTL1
SCHEMBL15866099 0.86 L3MBTL1 (0.44) KMT2AKDM4EMEN1RAB9AL3MBTL1
SCHEMBL25243260 0.83 RAB9A (0.47) KMT2AKDM4EMEN1RAB9AL3MBTL1
SCHEMBL25248370 0.80 CXCR2 (0.43) KMT2AKDM4EMEN1RAB9AL3MBTL1
SCHEMBL27285436 0.80 CXCR2 (0.41) KMT2AKDM4EMEN1RAB9AL3MBTL1
SCHEMBL25251299 0.79 L3MBTL1 (0.44) KMT2AKDM4EMEN1RAB9AL3MBTL1
SCHEMBL24069364 0.79 NPC1 (0.49) KMT2AKDM4EMEN1RAB9AL3MBTL1
SCHEMBL30390011 0.79 NPC1 (0.49) KMT2AKDM4EMEN1RAB9AL3MBTL1
SCHEMBL11973215 0.78 L3MBTL1 (0.48) KMT2AKDM4EMEN1RAB9AL3MBTL1

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-118510768-A Diazasulfinyl structure-containing compounds and their use in medicine 赛诺哈勃药业(成都)有限公司 2024-08-16 — — CN disclosed
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