SCHEMBL21368413

SCHEMBL21368413

Cc1c(C)n(C)c2ccc(CN)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 12/20 0.49
▸ ALDH1A1 P00352 5/20 0.41
▸ KDM4E B2RXH2 4/20 0.41
▸ HPGD P15428 3/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ MAPK1 P28482 3/20 0.39
▸ GAA P10253 2/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ RAD52 P43351 1/20 0.38
▸ KLKB1 P03952 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ TP53 P04637 1/20 0.35
▸ RAB9A P51151 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
SCHEMBL29277327 0.82 MAPT (0.49) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL554424 0.82 MAPT (0.49) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL23704334 0.76 NTRK1 (0.39) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL29994070 0.76 NTRK1 (0.39) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL3114251 0.76 MAPT (0.53) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL1683322 0.75 GPR3 (0.57) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL16727188 0.75 MAPT (0.56) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL16639005 0.74 MAPT (0.46) MAPTALDH1A1KDM4EHPGDHSD17B10
Hydrochloric Acid SCHEMBL30379478 0.73 NQO2 (0.54) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL23606081 0.72 HRH3 (0.47) MAPTALDH1A1KDM4EHPGDHSD17B10

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-2019178129-A1 SUBSTITUTED IMIDAZOPYRIDINES AS INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2019-09-19 — — WO disclosed
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