SCHEMBL31443809

SCHEMBL31443809

Nc1cccnc1-c1ccc(Br)c(OCc2ccccc2)c1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MGMT P16455 5/20 0.45
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ CYP19A1 P11511 2/20 0.40
▸ CYP11B1 P15538 2/20 0.40
▸ CYP11B2 P19099 2/20 0.40
▸ LTA4H P09960 1/20 0.39
▸ MAPK14 Q16539 1/20 0.39
▸ NPY1R P25929 1/20 0.37
▸ PPIF P30405 1/20 0.36
▸ PPIA P62937 1/20 0.36
▸ PIN1 Q13526 1/20 0.35
▸ HTT P42858 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
SCHEMBL16738992 0.82 MGMT (0.50) MGMTMEN1KMT2ANPC1RAB9A
SCHEMBL25367087 0.74 MGMT (0.44) MGMTMEN1KMT2ANPC1RAB9A
SCHEMBL29072309 0.70 MGMT (0.40) MGMTMEN1KMT2ANPC1RAB9A
SCHEMBL16342378 0.69 LMNA (0.48) MEN1KMT2ACYP19A1HTT
SCHEMBL22326031 0.68 CYP19A1 (0.44) MEN1KMT2ANPC1RAB9ACYP19A1
SCHEMBL25368475 0.68 THRA (0.43) MGMTMEN1KMT2ANPC1RAB9A
SCHEMBL8564287 0.68 MGMT (0.61) MGMTMEN1KMT2ANPC1RAB9A
SCHEMBL3591208 0.68 MGMT (0.54) MGMTMEN1KMT2ANPC1RAB9A
SCHEMBL6080995 0.68 MAOB (0.46) RAB9ALTA4HMAPK14
SCHEMBL10437475 0.68 MGMT (0.45) MGMTMEN1KMT2ANPC1RAB9A

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-2025096856-A1 COVALENT CEREBLON LIGANDS C4 THERAPEUTICS, INC. (US) 2025-05-08 — — WO disclosed
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