SCHEMBL31455202

SCHEMBL31455202

COC(=O)C1CCC(C(=O)Nc2ccc(Nc3cc(OC(F)(F)F)ccc3[N+](=O)[O-])cn2)CC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.44
BRAF P15056 5/20 0.44
KMT2A Q03164 3/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
PKM P14618 1/20 0.42
RAB9A P51151 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ABL1 P00519 1/20 0.41
MEN1 O00255 2/20 0.41
MITF O75030 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL31455523 0.88 ABL1 (0.50) KMT2ANPC1TP53PKMRAB9A
SCHEMBL31455231 0.86 KDR (0.46) KDRBRAFKMT2ANPC1TP53
SCHEMBL31455162 0.85 KMT2A (0.42) BRAFKMT2ANPC1TP53PKM
SCHEMBL31455603 0.82 MEN1 (0.45) KMT2ANPC1TP53RAB9AMEN1
SCHEMBL31455389 0.81 MEN1 (0.43) KMT2ATP53MEN1MITFSMN1; SMN2
SCHEMBL31455529 0.75 MEN1 (0.43) KMT2ANPC1TP53RAB9AABL1
SCHEMBL31455494 0.75 HDAC1 (0.44) KMT2ANPC1TP53PKMRAB9A
SCHEMBL31455084 0.71 MAPT (0.39) KMT2ANPC1TP53PKMRAB9A
SCHEMBL31456002 0.70 MEN1 (0.49) KMT2ANPC1RAB9AMEN1SMN1; SMN2
SCHEMBL31455499 0.70 MAPT (0.39) KMT2ANPC1RAB9AMEN1SMN1; 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-2025059577-A1 SUBSTITUTED AMINOPYRIDINE COMPOUNDS FOR USE AS AKT1 INHIBITORS ATAVISTIK BIO, INC. (US) 2025-03-20 WO disclosed