SCHEMBL30016396

SCHEMBL30016396

O=C(Nc1ccc(F)c(Br)c1)c1ccnc(C(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
RAF1 P04049 1/20 0.49
BRAF P15056 1/20 0.49

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
SCHEMBL28637538 1.00 LMNA (0.51) LMNANPC1RAB9ASMN1; SMN2RAF1
SCHEMBL25984106 0.91 LMNA (0.56) LMNANPC1RAB9ASMN1; SMN2RAF1
SCHEMBL30405369 0.86 NPC1 (0.56) LMNANPC1RAB9ASMN1; SMN2RAF1
SCHEMBL23482203 0.86 NPC1 (0.56) LMNANPC1RAB9ASMN1; SMN2RAF1
SCHEMBL17542187 0.84 LMNA (0.59) LMNANPC1RAB9ASMN1; SMN2
SCHEMBL25984085 0.81 LMNA (0.55) LMNANPC1RAB9ASMN1; SMN2RAF1
SCHEMBL29427240 0.81 RAF1 (0.56) LMNANPC1RAB9ASMN1; SMN2RAF1
SCHEMBL17591679 0.81 RAF1 (0.56) LMNANPC1RAB9ASMN1; SMN2RAF1
SCHEMBL26165525 0.80 RAB9A (0.60) LMNANPC1RAB9ASMN1; SMN2RAF1
SCHEMBL23309569 0.79 LMNA (0.74) LMNANPC1RAB9ASMN1; 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
CN-113264945-B Spiro derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2022-11-22 CN disclosed