SCHEMBL20147213

SCHEMBL20147213

Nc1cc(N)cc(-c2ccc(N=P(c3ccccc3)(c3ccccc3)c3ccccc3)cc2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.38
HSD17B10 Q99714 3/20 0.38
CYP3A4 P08684 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAPT P10636 3/20 0.34
RAB9A P51151 3/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
HTT P42858 2/20 0.34
PKM P14618 1/20 0.34
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
ALOX15 P16050 2/20 0.33
NPC1 O15118 2/20 0.33
GLA P06280 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
BACE1 P56817 1/20 0.31
MECP2 P51608 1/20 0.31

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
SCHEMBL26212384 1.00 MAOA (0.38) MAOAHSD17B10CYP3A4TAAR1TDP1
SCHEMBL26212286 0.89 MAPT (0.45) MAOAHSD17B10CYP3A4TAAR1TDP1
SCHEMBL14406578 0.85 ALDH1A1 (0.36) HSD17B10CYP3A4TAAR1TDP1MAPT
SCHEMBL14406587 0.85 ALDH1A1 (0.36) HSD17B10CYP3A4TAAR1TDP1MAPT
SCHEMBL14406594 0.85 ALDH1A1 (0.36) HSD17B10CYP3A4TAAR1TDP1MAPT
SCHEMBL14406593 0.84 CRHBP (0.31)
SCHEMBL26212139 0.83 MAPT (0.35) MAOAHSD17B10CYP3A4TAAR1TDP1
SCHEMBL15328973 0.81 MAPT (0.52) MAOAHSD17B10CYP3A4TAAR1TDP1
SCHEMBL14406571 0.79 ALDH1A1 (0.36) HSD17B10CYP3A4TDP1MAPTRAB9A
SCHEMBL26212258 0.79 MAPT (0.52) HSD17B10CYP3A4TAAR1TDP1MAPT

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
EP-2724389-B1 ORGANIC ELECTRONIC DEVICE NOVALED GMBH (DE) 2018-05-16 EP disclosed