SCHEMBL25801523

SCHEMBL25801523

CCCc1cccc2nc(N)sc12

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 3/20 0.46
▸ HTR1A P08908 2/20 0.46
▸ HTR2A P28223 1/20 0.46
▸ TLR8 Q9NR97 6/20 0.41
▸ TLR7 Q9NYK1 2/20 0.41
▸ DRD3 P35462 2/20 0.40
▸ ASH1L Q9NR48 1/20 0.40
▸ HTR7 P34969 1/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ CHRM1 P11229 1/20 0.37
▸ ELANE P08246 1/20 0.37
▸ FBP1 P09467 1/20 0.36
▸ MAPT P10636 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
SCHEMBL23422372 0.86 ELANE (0.44) DRD2HTR1AHTR2ATLR8TLR7
SCHEMBL2335323 0.83 DRD2 (0.46) DRD2HTR1AHTR2ADRD3ASH1L
SCHEMBL394985 0.79 DRD2 (0.42) DRD2HTR1AHTR2ADRD3ASH1L
SCHEMBL9722755 0.73 ALDH1A1 (0.57) DRD2HTR1AHTR2ATLR8TLR7
SCHEMBL30967498 0.73 TLR8 (0.49) TLR8SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL30488147 0.73 HSD17B10 (0.43) DRD2HTR1AHTR2AASH1LSMN1; SMN2
SCHEMBL25273864 0.73 HSD17B10 (0.43) DRD2HTR1AHTR2AASH1LSMN1; SMN2
SCHEMBL289210 0.73 SMN1; SMN2 (0.56) TLR8TLR7ASH1LSMN1; SMN2ALDH1A1
SCHEMBL30003135 0.73 SMN1; SMN2 (0.56) TLR8TLR7ASH1LSMN1; SMN2ALDH1A1
SCHEMBL5260809 0.72 ASH1L (0.46) ASH1LSMN1; SMN2ALDH1A1GAANPC1

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
WO-2023133181-A1 KRAS INHIBITORS THERAS, INC. (US) 2023-07-13 — — WO disclosed
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