SCHEMBL9702825

SCHEMBL9702825

CCc1ccc(CCc2ccc(-c3nnc(CC)s3)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.47
KDM4E B2RXH2 4/20 0.47
QPCTL Q9NXS2 5/20 0.42
TP53 P04637 3/20 0.41
MAPT P10636 2/20 0.41
QPCT Q16769 3/20 0.41
TAAR1 Q96RJ0 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
NPC1 O15118 3/20 0.38
HSD17B10 Q99714 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
AKT1 P31749 1/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 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
SCHEMBL9702831 0.91 RAB9A (0.50) RAB9AKDM4EQPCTLTP53MAPT
SCHEMBL9704064 0.90 RAB9A (0.49) RAB9AKDM4EQPCTLTP53MAPT
SCHEMBL9702998 0.87 RAB9A (0.66) RAB9AKDM4ETP53MAPTSMN1; SMN2
SCHEMBL9704789 0.86 RAB9A (0.47) RAB9AKDM4EQPCTLTP53MAPT
SCHEMBL9702717 0.85 RAB9A (0.60) RAB9AKDM4EQPCTLMAPTQPCT
SCHEMBL9704965 0.84 RAB9A (0.60) RAB9AKDM4EQPCTLTP53MAPT
SCHEMBL9704028 0.84 RAB9A (0.58) RAB9AKDM4EQPCTLTP53MAPT
SCHEMBL9702454 0.84 RAB9A (0.54) RAB9AKDM4EQPCTLTP53MAPT
SCHEMBL9704090 0.82 RAB9A (0.47) RAB9AKDM4ETP53MAPTTAAR1
SCHEMBL9702829 0.82 RAB9A (0.51) RAB9AKDM4EQPCTLTP53MAPT

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