SCHEMBL30900620

SCHEMBL30900620

Brc1ccnc(-n2ccnc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.58
CYP3A4 P08684 13/20 0.44
CYP1A2 P05177 12/20 0.44
CYP2D6 P10635 11/20 0.44
CYP2C19 P33261 11/20 0.44
HSD17B10 Q99714 8/20 0.44
ALOX15 P16050 7/20 0.44
CLK4 Q9HAZ1 5/20 0.44
TSHR P16473 2/20 0.44
TDP1 Q9NUW8 6/20 0.43
LMNA P02545 6/20 0.43
MAPT P10636 3/20 0.43
ALDH1A1 P00352 7/20 0.42
HPGD P15428 2/20 0.42
TP53 P04637 2/20 0.42
CASP7 P55210 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GLA P06280 1/20 0.42
CYP2C9 P11712 1/20 0.42

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
SCHEMBL22437082 1.00 LOXL2 (0.58) LOXL2CYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL31506438 0.79 LOXL2 (0.60) LOXL2CYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL26663329 0.79 ALDH1A1 (0.38) LOXL2CYP1A2CYP2C19TSHRMAPT
SCHEMBL12755537 0.78 LOXL2 (0.58) LOXL2CYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL4595436 0.78 LOXL2 (0.63) LOXL2CYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL30270572 0.74 CYP3A4 (0.53) LOXL2CYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL2894523 0.74 CYP3A4 (0.46) LOXL2CYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL9521235 0.74 CYP3A4 (0.58) LOXL2CYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL11015868 0.74 LOXL2 (0.71) LOXL2CYP3A4CYP1A2CYP2D6CYP2C19
SCHEMBL18049309 0.74 LOXL2 (1.00) LOXL2CYP3A4CYP1A2CYP2D6CYP2C19

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-112204009-B Modulators of integrated stress pathways 卡里科生命科学有限责任公司 2024-05-07 CN disclosed