SCHEMBL10694051

SCHEMBL10694051

N#Cc1c(N)c(N)c(C#N)c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
KDM4E B2RXH2 5/20 0.52
GAA P10253 2/20 0.52
MAPT P10636 2/20 0.52
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
CACNA1B Q00975 1/20 0.52
APBA1 Q02410 1/20 0.52
ADORA1 P30542 4/20 0.42
ADORA2A P29274 3/20 0.42
HSD17B10 Q99714 3/20 0.39
ALOX15 P16050 1/20 0.39
LMNA P02545 3/20 0.39
TSHR P16473 2/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
GLA P06280 1/20 0.39
POLB P06746 1/20 0.39
CASP1 P29466 1/20 0.39

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
SCHEMBL21480744 0.93 ALDH1A1 (0.46) ALDH1A1KDM4EGAAMAPTKMT2A
SCHEMBL28596694 0.88 ALDH1A1 (0.46) ALDH1A1KDM4EGAAMAPTKMT2A
SCHEMBL5751189 0.87 ALDH1A1 (0.52) ALDH1A1KDM4EGAAMAPTKMT2A
SCHEMBL21480742 0.85 ALDH1A1 (0.48) ALDH1A1KDM4EGAAMAPTKMT2A
SCHEMBL14567393 0.84 ALDH1A1 (0.52) ALDH1A1KDM4EGAAMAPTKMT2A
SCHEMBL29429129 0.83 ALDH1A1 (0.64) ALDH1A1KDM4EGAAMAPTKMT2A
SCHEMBL150623 0.83 ALDH1A1 (0.64) ALDH1A1KDM4EGAAMAPTKMT2A
SCHEMBL148856 0.80 ALDH1A1 (0.59) ALDH1A1KDM4EGAAMAPTKMT2A
SCHEMBL2546104 0.80 ALDH1A1 (0.59) ALDH1A1KDM4EGAAMAPTKMT2A
SCHEMBL17249776 0.78 GRM6 (0.42) ALDH1A1KDM4EGAAMAPTKMT2A

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-4792508-A STEREOISOMERIC NAPHTHALENE IMIDAZOLE PERYLENES, ARYL AMINES XEROX CORPORATION (US) 1988-12-20 US disclosed