SCHEMBL8219402

SCHEMBL8219402

CCNC(=O)n1c(-c2ccccc2)nc2ccccc2c1=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.66
▸ RAB9A P51151 2/20 0.66
▸ HTT P42858 1/20 0.66
▸ CYP1A2 P05177 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ ALDH1A1 P00352 4/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ MAPT P10636 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ GAA P10253 1/20 0.49
▸ LMNA P02545 2/20 0.49
▸ RECQL P46063 1/20 0.49
▸ EGFR P00533 2/20 0.48
▸ PIN1 Q13526 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.47
▸ CASR P41180 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.46

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
SCHEMBL13502461 0.79 CYP1A2 (0.54) L3MBTL1RAB9AHTTCYP1A2CYP2C9
SCHEMBL13502531 0.77 KMT2A (0.62) L3MBTL1RAB9AHTTCYP1A2CYP2C9
SCHEMBL3587923 0.77 KMT2A (0.54) L3MBTL1RAB9AHTTCYP1A2CYP2C9
SCHEMBL8219165 0.75 ALDH1A1 (0.55) L3MBTL1RAB9AHTTCYP1A2CYP2C9
SCHEMBL3580872 0.75 ALDH1A1 (0.54) L3MBTL1RAB9AHTTCYP1A2CYP2C9
SCHEMBL28009020 0.74 CASR (0.60) L3MBTL1RAB9AHTTCYP1A2CYP2C9
SCHEMBL27685271 0.72 ALDH1A1 (0.61) HTTALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL6313895 0.71 ALDH1A1 (0.64) L3MBTL1RAB9AHTTCYP1A2CYP2C9
SCHEMBL29764078 0.70 KMT2A (0.65) RAB9AALDH1A1SMN1; SMN2MAPTKMT2A
SCHEMBL1463333 0.70 KMT2A (0.65) RAB9AALDH1A1SMN1; SMN2MAPTKMT2A

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
WO-2008023357-A1 HETEROCYCLIC DERIVATIVES BINDING TO THE PERIPHERAL-TYPE BENZODIAZEPINE RECEPTOR (PBR) TECHNION RESEARCH AND DEVELOPMENT FOUNDATION LTD. (IL) 2008-02-28 — — WO disclosed
Send feedback