SCHEMBL30189882

SCHEMBL30189882

Cc1ncn(-c2ccc(NC(=O)O)cn2)n1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.54
LMNA P02545 2/20 0.54
L3MBTL1 Q9Y468 2/20 0.40
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 3/20 0.39
CYP1A2 P05177 3/20 0.39
CYP2C19 P33261 2/20 0.39
ALDH1A1 P00352 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
KMT2A Q03164 1/20 0.37
P4HTM Q9NXG6 1/20 0.37
TP53 P04637 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GRM1 Q13255 1/20 0.36
GAA P10253 1/20 0.36
KCNJ1 P48048 1/20 0.35

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
SCHEMBL21379626 1.00 MAPT (0.54) MAPTLMNAL3MBTL1RAB9AKDM4E
SCHEMBL9111469 0.77 KCNJ1 (0.58) MAPTL3MBTL1RAB9AKDM4EALDH1A1
SCHEMBL9110821 0.77 KDM4E (0.54) MAPTLMNAKDM4ECYP1A2CYP2C19
SCHEMBL25413821 0.76 KDM5A (0.45) MAPTL3MBTL1RAB9AKDM4ECYP1A2
SCHEMBL25413782 0.76 MAPT (0.38) MAPTL3MBTL1RAB9AKDM4ECYP1A2
SCHEMBL24668346 0.76 MAPT (0.64) MAPTLMNAKDM4EALDH1A1RXFP1
SCHEMBL9108667 0.75 MAPT (0.39) MAPTL3MBTL1RAB9AKDM4ECYP1A2
SCHEMBL17720574 0.74 LMNA (0.50) MAPTLMNARAB9AKMT2ATP53
SCHEMBL25415330 0.73 KDM4E (0.38) MAPTL3MBTL1RAB9AKDM4ECYP1A2
SCHEMBL25414626 0.72 KMT2A (0.37) MAPTLMNAL3MBTL1RAB9AKDM4E

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
CN-109689647-B Bicyclic heteroaryl substituted compounds 百时美施贵宝公司 2023-01-20 CN disclosed