SCHEMBL22792326

SCHEMBL22792326

COc1cnc(C)c(NCc2cccnc2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGK1 P00558 3/20 0.53
▸ ALDH1A1 P00352 8/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ HPGD P15428 1/20 0.52
▸ CYP3A4 P08684 8/20 0.51
▸ CYP2C19 P33261 7/20 0.51
▸ HSD17B10 Q99714 7/20 0.51
▸ CYP1A2 P05177 7/20 0.51
▸ ALOX15 P16050 6/20 0.51
▸ CYP2D6 P10635 6/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ CLK4 Q9HAZ1 3/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ TSHR P16473 2/20 0.47
▸ USP2 O75604 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ GSK3B P49841 1/20 0.47

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
SCHEMBL22792316 0.81 KDM4C (0.53) PGK1ALDH1A1KDM4ECYP3A4CYP2C19
SCHEMBL29299459 0.80 THRB (0.50) CLK4NPC1MEN1KMT2ACACNA2D1
SCHEMBL22792311 0.77 CYP1A2 (0.53) PGK1ALDH1A1KDM4EHPGDCYP3A4
SCHEMBL22792621 0.77 CYP1A2 (0.54) PGK1ALDH1A1KDM4EHPGDCYP3A4
SCHEMBL22792187 0.76 CYP1A2 (0.53) PGK1ALDH1A1KDM4EHPGDCYP3A4
SCHEMBL7256637 0.70 USP1 (0.59) PGK1ALDH1A1KDM4ECYP3A4CYP2C19
SCHEMBL22792726 0.70 LTA4H (0.55) PGK1ALDH1A1KDM4ECYP3A4CYP2C19
SCHEMBL25219947 0.70 KDM4C (0.53) PGK1ALDH1A1KDM4EHPGDCYP3A4
SCHEMBL31278225 0.70 KDM4C (0.53) PGK1ALDH1A1KDM4EHPGDCYP3A4
SCHEMBL21076561 0.70 KDM4C (0.50) PGK1ALDH1A1KDM4EHPGDCYP3A4

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-2020252229-A2 INHIBITORS OF SARM1 DISARM THERAPEUTICS, INC. (US) 2020-12-17 — — WO disclosed
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