SCHEMBL23537751

SCHEMBL23537751

Cc1nnc(COc2ccc(N)cc2Cl)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.49
ALDH1A1 P00352 3/20 0.49
RAB9A P51151 2/20 0.43
MAPT P10636 2/20 0.43
NPC1 O15118 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 4/20 0.40
USP2 O75604 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HTT P42858 2/20 0.39
POLB P06746 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
SYK P43405 1/20 0.38
MAPK1 P28482 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CDC7 O00311 1/20 0.38
PLK4 O00444 1/20 0.38

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
SCHEMBL23538009 0.81 HPGD (0.40) HPGDALDH1A1RAB9AMAPTNPC1
SCHEMBL13844986 0.80 HTT (0.50) HPGDALDH1A1RAB9AMAPTNPC1
SCHEMBL23537705 0.79 L3MBTL1 (0.51) HPGDALDH1A1RAB9AMAPTTSHR
SCHEMBL23537985 0.78 MAPT (0.49) HPGDALDH1A1RAB9AMAPTNPC1
SCHEMBL2986980 0.77 EGFR (0.44) HPGDALDH1A1RAB9AMAPTNPC1
SCHEMBL30729947 0.75 MRGPRX4 (0.40) HPGDALDH1A1RAB9AMAPTNPC1
SCHEMBL23538135 0.75 RAB9A (0.53) HPGDALDH1A1RAB9AMAPTNPC1
SCHEMBL27097024 0.75 MRGPRX4 (0.40) HPGDALDH1A1RAB9AMAPTNPC1
SCHEMBL3727149 0.74 ALDH1A1 (0.58) HPGDALDH1A1RAB9AMAPTNPC1
SCHEMBL30729931 0.74 HTR2A (0.52) ALDH1A1RAB9AMAPTNPC1SMN1; SMN2

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-2021127397-A1 NITROGEN HETEROCYCLIC COMPOUNDS AND METHODS OF USE BLACK DIAMOND THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed