SCHEMBL31456002

SCHEMBL31456002

COC(=O)c1ccc(C(=O)Nc2ccc(Nc3cc(OC(C)C)ccc3[N+](=O)[O-])cn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.49
KMT2A Q03164 5/20 0.49
MAPT P10636 4/20 0.49
NPC1 O15118 2/20 0.49
HTT P42858 2/20 0.49
RAB9A P51151 2/20 0.49
LMNA P02545 2/20 0.48
ALDH1A1 P00352 1/20 0.48
RXFP1 Q9HBX9 1/20 0.46
RECQL P46063 1/20 0.46
POLB P06746 3/20 0.45
AR P10275 1/20 0.44
PELP1 Q8IZL8 1/20 0.44
CYP2C19 P33261 1/20 0.43
GCK P35557 3/20 0.43
PPARG P37231 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NR2E3 Q9Y5X4 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL31455603 0.88 MEN1 (0.45) MEN1KMT2AMAPTNPC1HTT
SCHEMBL31455726 0.86 MAPT (0.49) MEN1KMT2AMAPTNPC1HTT
SCHEMBL31455675 0.85 MAPT (0.54) MEN1KMT2AMAPTNPC1HTT
SCHEMBL31455534 0.85 MEN1 (0.47) MEN1KMT2AMAPTNPC1HTT
SCHEMBL31455499 0.81 MAPT (0.39) MEN1KMT2AMAPTNPC1HTT
SCHEMBL31455523 0.80 ABL1 (0.50) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL31455453 0.78 MAPT (0.41) MEN1KMT2AMAPTNPC1HTT
SCHEMBL31455801 0.73 NPC1 (0.46) MEN1KMT2AMAPTNPC1HTT
SCHEMBL31455832 0.73 F10 (0.47) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL20764512 0.73 AR (0.59) MEN1KMT2AMAPTNPC1HTT

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-2025059562-A1 SUBSTITUTED AMINOPYRIDINE COMPOUNDS AND METHODS OF TREATING DISEASE USING SAME ATAVISTIK BIO, INC. (US) 2025-03-20 WO disclosed