SCHEMBL29792775

SCHEMBL29792775

COc1ccc(SC)c(CN=[N+]=[N-])c1F

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL23088134 1.00 AR (0.32) ARALDH1A1KMT2AKDM4ELMNA
SCHEMBL31050368 0.79 — —
SCHEMBL23088461 0.75 CD274 (0.39) ARALDH1A1KDM4ELMNAMAPT
SCHEMBL23088207 0.75 AR (0.38) ARALDH1A1KMT2AKDM4ELMNA
SCHEMBL29792743 0.75 AR (0.38) ARALDH1A1KMT2AKDM4ELMNA
SCHEMBL16401940 0.70 HTR2A (0.39) ALDH1A1KDM4ELMNAMAPTSMN1; SMN2
SCHEMBL29407395 0.70 KMT2A (0.48) ALDH1A1KMT2AKDM4ELMNA
SCHEMBL17221294 0.70 KMT2A (0.48) ALDH1A1KMT2AKDM4ELMNA
SCHEMBL20503059 0.66 PDE3B (0.37) ALDH1A1KMT2AKDM4EMAPTHPGD
SCHEMBL30849870 0.66 PDE3B (0.37) ALDH1A1KMT2AKDM4EMAPTHPGD

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
EP-4031547-A1 PLASMA KALLIKREIN INHIBITORS AND USES THEREOF Takeda Pharmaceutical Company Limited (JP) 2022-07-27 — — EP disclosed
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