SCHEMBL27447299

SCHEMBL27447299

N#Cc1cc[nH]c1-c1ccc(CN)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 3/20 0.52
HRH3 Q9Y5N1 1/20 0.45
TAAR1 Q96RJ0 4/20 0.39
ASIC3 Q9UHC3 1/20 0.39
NSD2 O96028 1/20 0.38
NEK1 Q96PY6 1/20 0.38
ADRB2 P07550 1/20 0.35
LTA4H P09960 1/20 0.34
ABAT P80404 1/20 0.33
AKT2 P31751 1/20 0.33
IKBKB O14920 1/20 0.33
CHUK O15111 1/20 0.33
ABL1 P00519 1/20 0.33
EGFR P00533 1/20 0.33
SRC P12931 1/20 0.33
FLT1 P17948 1/20 0.33
KDR P35968 1/20 0.33
SYK P43405 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33

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
SCHEMBL9040621 0.76 MAOA (0.47)
SCHEMBL7784781 0.76 MCL1 (0.49) LTA4H
SCHEMBL1780240 0.75 MCL1 (0.46) CHUK
SCHEMBL27341835 0.73 LOXL2 (0.42) LOXL2HRH3TAAR1NSD2NEK1
SCHEMBL15245752 0.72 LOXL2 (0.86) LOXL2HRH3TAAR1NSD2
SCHEMBL9219845 0.71 KIF11 (0.56)
Hydrochloric Acid SCHEMBL20497332 0.71 LOXL2 (0.83) LOXL2HRH3TAAR1NSD2
SCHEMBL27340414 0.70 LOXL2 (0.46) LOXL2HRH3TAAR1ASIC3NSD2
Water SCHEMBL5709165 0.69 LOXL2 (1.00) LOXL2HRH3NSD2ABAT
SCHEMBL297224 0.69 LOXL2 (1.00) LOXL2HRH3NSD2ABAT

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-1059723-A Hete rocyclic derivatives FUJISAWA PHARMACEUTICAL CO (JP) 1992-03-25 CN disclosed