SCHEMBL9704090

SCHEMBL9704090

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.47
KDM4E B2RXH2 4/20 0.47
SMN1; SMN2 Q16637 5/20 0.42
LMNA P02545 4/20 0.41
ALDH1A1 P00352 2/20 0.41
TAAR1 Q96RJ0 1/20 0.39
NPC1 O15118 6/20 0.39
POLB P06746 2/20 0.39
TP53 P04637 2/20 0.39
HSD17B10 Q99714 1/20 0.38
GAA P10253 1/20 0.38
NISCH Q9Y2I1 1/20 0.38
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
L3MBTL1 Q9Y468 2/20 0.36
MAPT P10636 1/20 0.36
AKT1 P31749 1/20 0.36

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
SCHEMBL23329317 0.94 SMN1; SMN2 (0.46) RAB9AKDM4ESMN1; SMN2LMNAALDH1A1
SCHEMBL9702334 0.89 RAB9A (0.51) RAB9AKDM4ESMN1; SMN2LMNAALDH1A1
SCHEMBL20715892 0.87 RAB9A (0.53) RAB9AKDM4ESMN1; SMN2LMNAALDH1A1
SCHEMBL9703202 0.85 RAB9A (0.68) RAB9AKDM4ESMN1; SMN2LMNAALDH1A1
SCHEMBL9702798 0.82 RAB9A (0.61) RAB9AKDM4ESMN1; SMN2LMNAALDH1A1
SCHEMBL9702825 0.82 RAB9A (0.47) RAB9AKDM4ESMN1; SMN2LMNAALDH1A1
SCHEMBL9704064 0.79 RAB9A (0.49) RAB9AKDM4ESMN1; SMN2LMNAALDH1A1
SCHEMBL738448 0.77 SMN1; SMN2 (0.64) RAB9AKDM4ESMN1; SMN2LMNAALDH1A1
SCHEMBL7060175 0.76 KDM4E (0.69) RAB9AKDM4ESMN1; SMN2LMNAALDH1A1
SCHEMBL9702717 0.76 RAB9A (0.60) RAB9AKDM4ESMN1; SMN2LMNAALDH1A1

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