SCHEMBL9702831

SCHEMBL9702831

CCCc1ccc(CCc2ccc(-c3nnc(CC)s3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.50
KDM4E B2RXH2 4/20 0.50
QPCTL Q9NXS2 5/20 0.41
SLC5A2 P31639 1/20 0.41
QPCT Q16769 3/20 0.40
AKT1 P31749 1/20 0.40
ALDH1A1 P00352 3/20 0.39
KMT2A Q03164 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPC1 O15118 3/20 0.39
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NISCH Q9Y2I1 1/20 0.38
GFER P55789 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL9702829 0.91 RAB9A (0.51) RAB9AKDM4EQPCTLSLC5A2QPCT
SCHEMBL9702825 0.91 RAB9A (0.47) RAB9AKDM4EQPCTLQPCTAKT1
SCHEMBL9702998 0.89 RAB9A (0.66) RAB9AKDM4EAKT1ALDH1A1KMT2A
SCHEMBL9704064 0.88 RAB9A (0.49) RAB9AKDM4EQPCTLSLC5A2QPCT
SCHEMBL9702795 0.86 MEN1 (0.43) RAB9AKDM4EQPCTLAKT1ALDH1A1
SCHEMBL9704088 0.85 RAB9A (0.61) RAB9AKDM4EQPCTLSLC5A2QPCT
SCHEMBL13340755 0.85 RAB9A (0.59) RAB9AKDM4EALDH1A1KMT2ACYP1A2
SCHEMBL9704789 0.84 RAB9A (0.47) RAB9AKDM4EQPCTLSLC5A2QPCT
SCHEMBL9704102 0.84 RAB9A (0.60) RAB9AKDM4EQPCTLAKT1ALDH1A1
SCHEMBL9704965 0.83 RAB9A (0.60) RAB9AKDM4EQPCTLALDH1A1KMT2A

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
US-5143642-A Thiadiazoles MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-09-01 US disclosed