SCHEMBL9470650

SCHEMBL9470650

O=C(OC1CC(CO)C1CBr)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CHRM2 P08172 2/20 0.43
CHRM4 P08173 2/20 0.43
CHRM1 P11229 2/20 0.43
CHRM3 P20309 2/20 0.43
CHRNA7 P36544 2/20 0.41
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
HTR3A P46098 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 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
SCHEMBL9470613 0.81 CHRM2 (0.46) CHRM2CHRM4CHRM1CHRM3CHRNA7
SCHEMBL9469882 0.81 LGALS9 (0.46) RAB9AKDM4ENPC1SMN1; SMN2CHRM2
SCHEMBL10240925 0.78 CHRM2 (0.44) RAB9AKDM4ENPC1SMN1; SMN2CHRM2
SCHEMBL2621370 0.78 SLC5A1 (0.50) RAB9AKDM4ENPC1CHRM2CHRM4
SCHEMBL12069028 0.74 LGALS9 (0.45) CHRM2CHRM4CHRM1CHRM3CHRNA7
SCHEMBL15215812 0.74 LGALS9 (0.45) CHRM2CHRM4CHRM1CHRM3CHRNA7
SCHEMBL802486 0.72 CHRM2 (0.46) CHRM2CHRM4CHRM1CHRM3CHRNA7
SCHEMBL10959939 0.72 RAB9A (0.46) RAB9AKDM4ENPC1SMN1; SMN2CHRM2
SCHEMBL11611279 0.72 RAB9A (0.46) RAB9AKDM4ENPC1SMN1; SMN2CHRM2
SCHEMBL11612977 0.72 RAB9A (0.46) RAB9AKDM4ENPC1SMN1; SMN2CHRM2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5246931-A Triazine-substituted cyclobutane derivatives; viricides; side effect reduction BRISTOL-MYERS SQUIBB COMPANY (US) 1993-09-21 US disclosed
US-5153352-A Viricides and antitumor agent BRISTOL-MYERS SQUIBB COMPANY (US) 1992-10-06 US disclosed
EP-0366059-A2 Carbocyclic nucleoside analogs BRISTOL-MYERS SQUIBB COMPANY (US) 1990-05-02 EP disclosed