SCHEMBL23537985

SCHEMBL23537985

Cc1nnc(COc2ccc([N+](=O)[O-])cc2Cl)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.49
LMNA P02545 6/20 0.49
HPGD P15428 5/20 0.49
KMT2A Q03164 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
ALDH1A1 P00352 3/20 0.49
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
MEN1 O00255 2/20 0.48
KDM4E B2RXH2 1/20 0.48
PKM P14618 1/20 0.48
PDE7A Q13946 1/20 0.42
HSD17B10 Q99714 1/20 0.41
POLB P06746 1/20 0.40

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
SCHEMBL23537921 0.83 MAPT (0.51) MAPTLMNAHPGDKMT2ASMN1; SMN2
SCHEMBL23538144 0.81 MAPT (0.63) MAPTLMNAHPGDKMT2ASMN1; SMN2
SCHEMBL2991924 0.80 MAPT (0.51) MAPTLMNAHPGDKMT2ASMN1; SMN2
SCHEMBL23537751 0.78 HPGD (0.49) MAPTLMNAHPGDKMT2ASMN1; SMN2
SCHEMBL27097014 0.78 MAPT (0.51) MAPTLMNAHPGDKMT2ASMN1; SMN2
SCHEMBL27096888 0.77 MAPT (0.48) MAPTLMNAHPGDKMT2ASMN1; SMN2
SCHEMBL27096922 0.76 MAPT (0.49) MAPTLMNAHPGDKMT2ASMN1; SMN2
SCHEMBL27096956 0.75 MAPT (0.48) MAPTLMNAHPGDKMT2ASMN1; SMN2
SCHEMBL13844986 0.74 HTT (0.50) MAPTLMNAHPGDKMT2ASMN1; SMN2
SCHEMBL6816187 0.74 MAPT (0.79) MAPTLMNAHPGDKMT2ASMN1; 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