SCHEMBL21863403

SCHEMBL21863403

Ic1ccc(-n2ccnc2)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 8/20 0.46
CYP1A2 P05177 6/20 0.46
CYP2D6 P10635 5/20 0.46
CYP2C19 P33261 4/20 0.46
CYP2C9 P11712 2/20 0.46
KMT2A Q03164 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.42
TDP1 Q9NUW8 3/20 0.42
HSD17B10 Q99714 2/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 2/20 0.42
CYP2A6 P11509 1/20 0.42
PIM1 P11309 1/20 0.41
GAA P10253 1/20 0.41
TSHR P16473 2/20 0.41
ALOX15 P16050 2/20 0.41
CLK4 Q9HAZ1 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 2/20 0.40

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
SCHEMBL2894523 0.78 CYP3A4 (0.46) CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9
SCHEMBL8815628 0.78 GAA (0.50) CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9
SCHEMBL4878557 0.78 LMNA (0.56) CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9
SCHEMBL30753599 0.78 LMNA (0.56) CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9
SCHEMBL28678423 0.78 CYP3A4 (0.59) CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9
SCHEMBL1850917 0.76 POLB (0.35) MAPT
SCHEMBL20725909 0.76 LOXL2 (0.40) CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9
SCHEMBL23055298 0.75 CYP3A4 (0.53) CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9
SCHEMBL10162595 0.75 LOXL2 (0.47) CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9
SCHEMBL15653481 0.74 APP (0.47) CYP3A4CYP1A2CYP2D6CYP2C19CYP2C9

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-2020065614-A1 MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 WO disclosed