SCHEMBL31455603

SCHEMBL31455603

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

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
RECQL P46063 1/20 0.45
F10 P00742 1/20 0.45
POLB P06746 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MITF O75030 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43
MAPT P10636 3/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
ALDH1A1 P00352 3/20 0.42
LMNA P02545 2/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
CXCR2 P25025 2/20 0.42
TP53 P04637 1/20 0.41

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
SCHEMBL31456002 0.88 MEN1 (0.49) MEN1KMT2ARECQLPOLBSMN1; SMN2
SCHEMBL31455675 0.86 MAPT (0.54) MEN1KMT2ARECQLPOLBSMN1; SMN2
SCHEMBL31455832 0.85 F10 (0.47) MEN1KMT2AF10POLBSMN1; SMN2
SCHEMBL31455726 0.85 MAPT (0.49) MEN1KMT2ARECQLPOLBSMN1; SMN2
SCHEMBL31455534 0.84 MEN1 (0.47) MEN1KMT2ARECQLPOLBSMN1; SMN2
SCHEMBL31455389 0.84 MEN1 (0.43) MEN1KMT2ASMN1; SMN2MITFMAPT
SCHEMBL31455202 0.82 KDR (0.44) MEN1KMT2ASMN1; SMN2MITFNPC1
SCHEMBL3492902 0.80 MAPT (0.52) MEN1KMT2APOLBSMN1; SMN2MITF
SCHEMBL3494240 0.77 AKR1C3 (0.57) MEN1KMT2AMAPTNPC1RAB9A
SCHEMBL31455529 0.77 MEN1 (0.43) MEN1KMT2ASMN1; SMN2MITFMAPT

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