SCHEMBL9702829

SCHEMBL9702829

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.51
KDM4E B2RXH2 4/20 0.51
QPCTL Q9NXS2 6/20 0.45
QPCT Q16769 3/20 0.44
SLC5A2 P31639 1/20 0.42
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPC1 O15118 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 1/20 0.40
NISCH Q9Y2I1 1/20 0.39
ATM Q13315 1/20 0.39
HSD11B1 P28845 1/20 0.38
GFER P55789 1/20 0.38

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
SCHEMBL9704064 0.93 RAB9A (0.49) RAB9AKDM4EQPCTLQPCTSLC5A2
SCHEMBL9702831 0.91 RAB9A (0.50) RAB9AKDM4EQPCTLQPCTSLC5A2
SCHEMBL9704088 0.90 RAB9A (0.61) RAB9AKDM4EQPCTLQPCTSLC5A2
SCHEMBL9702773 0.90 RAB9A (0.66) RAB9AKDM4EKMT2AALDH1A1HPGD
SCHEMBL9704789 0.89 RAB9A (0.47) RAB9AKDM4EQPCTLQPCTSLC5A2
SCHEMBL9704102 0.89 RAB9A (0.60) RAB9AKDM4EQPCTLKMT2AALDH1A1
SCHEMBL9703148 0.87 MEN1 (0.45) RAB9AKDM4EQPCTLKMT2AALDH1A1
SCHEMBL13340755 0.87 RAB9A (0.59) RAB9AKDM4EKMT2AALDH1A1CYP1A2
SCHEMBL9702249 0.86 RAB9A (0.58) RAB9AKDM4EQPCTLQPCTKMT2A
SCHEMBL9702884 0.85 KDM4E (0.68) RAB9AKDM4EKMT2AALDH1A1HPGD

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