SCHEMBL28725841

SCHEMBL28725841

CCc1c[nH]c2c(F)cc(C3=CCN(C(=O)O)CC3)cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1D P28221 10/20 0.38
▸ HTR1B P28222 10/20 0.38
▸ MAPT P10636 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ QDPR P09417 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ CASP3 P42574 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SENP8 Q96LD8 1/20 0.35
▸ SENP7 Q9BQF6 1/20 0.35
▸ SENP6 Q9GZR1 1/20 0.35
▸ CCNT1 O60563 2/20 0.35
▸ CDK9 P50750 2/20 0.35
▸ HSD17B10 Q99714 1/20 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
SCHEMBL29555954 0.86 GRM1 (0.43) CCNT1CDK9
SCHEMBL19838659 0.86 GRM1 (0.43) CCNT1CDK9
SCHEMBL21967952 0.80 HTR1D (0.55) HTR1DHTR1BMAPTMEN1KMT2A
SCHEMBL28433354 0.73 BTK (0.37) HTR1DHTR1BMAPTMEN1KMT2A
SCHEMBL28725598 0.73 HTR1D (0.56) HTR1DHTR1BKMT2AALOX15HSD17B10
SCHEMBL25223587 0.71 HTR1D (0.51) HTR1DHTR1BMAPTMEN1KMT2A
SCHEMBL16422318 0.70 QDPR (0.51) MAPTMEN1KMT2ALMNAQDPR
SCHEMBL28725580 0.70 HTR1D (0.52) HTR1DHTR1BMAPTMEN1KMT2A
SCHEMBL28725616 0.69 HTR1D (0.59) HTR1DHTR1B
SCHEMBL15174850 0.69 QDPR (0.49) MAPTMEN1KMT2AQDPRALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111448190-B Substituted indole compounds 百时美施贵宝公司 2023-09-26 — — CN disclosed
CN-109715617-B Dimethoxyphenyl-substituted indole compounds as inhibitors of TLR7, TLR8 or TLR9 百时美施贵宝公司 2022-04-19 — — CN disclosed
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