SCHEMBL30100812

SCHEMBL30100812

CSc1ccc(F)cc1C1CCCN1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ CA1 P00915 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ PDCD1LG2 Q9BQ51 1/20 0.37
▸ CD274 Q9NZQ7 1/20 0.37
▸ CCNT1 O60563 1/20 0.37
▸ CDK9 P50750 1/20 0.37
▸ CHRM2 P08172 3/20 0.36
▸ CHRM4 P08173 2/20 0.36
▸ CHRM5 P08912 2/20 0.36
▸ CHRM1 P11229 2/20 0.36
▸ CHRM3 P20309 2/20 0.36
▸ ADRA2A P08913 1/20 0.36
▸ ADRA2B P18089 1/20 0.36
▸ ADRA2C P18825 1/20 0.36
▸ ADRA1D P25100 1/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ ADRA1B P35368 1/20 0.36

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
SCHEMBL21625412 1.00 MEN1 (0.41) MEN1KMT2AKCNH2CA1CA2
SCHEMBL28880003 1.00 MEN1 (0.41) MEN1KMT2AKCNH2CA1CA2
SCHEMBL22097356 0.80 MEN1 (0.44) MEN1KMT2AKCNH2CCNT1CDK9
SCHEMBL4102503 0.80 MEN1 (0.44) MEN1KMT2AKCNH2CCNT1CDK9
SCHEMBL22917359 0.79 KDM1A (0.44) MEN1KMT2AKCNH2CHRM2CHRM4
SCHEMBL932672 0.79 KDM1A (0.44) MEN1KMT2AKCNH2CHRM2CHRM4
SCHEMBL933161 0.79 KDM1A (0.44) MEN1KMT2AKCNH2CHRM2CHRM4
SCHEMBL29404068 0.79 KDM1A (0.44) MEN1KMT2AKCNH2CHRM2CHRM4
Hydrochloric Acid SCHEMBL15017843 0.78 KDM1A (0.43) MEN1KMT2AKCNH2CHRM2CHRM4
Hydrochloric Acid SCHEMBL29526160 0.78 KDM1A (0.43) MEN1KMT2AKCNH2CHRM2CHRM4

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-4093376-A1 PHARMACEUTICAL COMPOSITIONS AND THEIR USES BenevolentAI Bio Limited (GB) 2022-11-30 — — EP disclosed
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