SCHEMBL9702334

SCHEMBL9702334

CCCc1ccc(CCc2ccc(-c3nnc(C)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
NISCH Q9Y2I1 1/20 0.42
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 3/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
NPSR1 Q6W5P4 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
L3MBTL1 Q9Y468 1/20 0.40
ALOX15 P16050 1/20 0.39
PTGS2 P35354 1/20 0.39
AKT1 P31749 1/20 0.39
HSD11B1 P28845 2/20 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
SCHEMBL20715892 0.98 RAB9A (0.53) RAB9AKDM4ENISCHALDH1A1SMN1; SMN2
SCHEMBL9704090 0.89 RAB9A (0.47) RAB9AKDM4ENISCHALDH1A1SMN1; SMN2
SCHEMBL9703202 0.88 RAB9A (0.68) RAB9AKDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL13340755 0.87 RAB9A (0.59) RAB9AKDM4ENISCHALDH1A1SMN1; SMN2
SCHEMBL23329317 0.83 SMN1; SMN2 (0.46) RAB9AKDM4ENISCHALDH1A1SMN1; SMN2
SCHEMBL9702798 0.82 RAB9A (0.61) RAB9AKDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL9702829 0.82 RAB9A (0.51) RAB9AKDM4ENISCHALDH1A1SMN1; SMN2
SCHEMBL9702831 0.81 RAB9A (0.50) RAB9AKDM4ENISCHALDH1A1SMN1; SMN2
SCHEMBL13514087 0.79 KDM4E (0.79) RAB9AKDM4EALDH1A1SMN1; SMN2LMNA
SCHEMBL9704088 0.77 RAB9A (0.61) RAB9AKDM4EALDH1A1SMN1; SMN2LMNA

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