SCHEMBL28041337

SCHEMBL28041337

O=c1c2ccccc2n(Cc2ccccc2)c2cc3c(=O)c4ccccc4n(Cc4ccccc4)c3cc12

nearest known ligand 0.86

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 4/20 0.86
CYP19A1 P11511 1/20 0.67
NTRK1 P04629 1/20 0.60
KMT2A Q03164 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
MEN1 O00255 2/20 0.58
ALDH1A1 P00352 2/20 0.58
MAPT P10636 2/20 0.58
MAPK1 P28482 1/20 0.58
KDM4E B2RXH2 1/20 0.58
SRC P12931 1/20 0.53
GLA P06280 1/20 0.53
PGR P06401 1/20 0.53
LMNA P02545 1/20 0.50
PRKDC P78527 1/20 0.49

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
SCHEMBL29904927 0.93 P2RX4 (1.00) P2RX4CYP19A1NTRK1KMT2ASMN1; SMN2
SCHEMBL14160818 0.93 P2RX4 (1.00) P2RX4CYP19A1NTRK1KMT2ASMN1; SMN2
SCHEMBL11376666 0.87 P2RX4 (0.76) P2RX4CYP19A1NTRK1KMT2ASMN1; SMN2
SCHEMBL14280388 0.82 P2RX4 (0.77) P2RX4NTRK1KMT2AALDH1A1MAPK1
SCHEMBL30007452 0.81 CYP19A1 (1.00) P2RX4CYP19A1KMT2ASMN1; SMN2MEN1
SCHEMBL151053 0.81 CYP19A1 (1.00) P2RX4CYP19A1KMT2ASMN1; SMN2MEN1
SCHEMBL9398256 0.79 CYP19A1 (0.95) P2RX4CYP19A1KMT2ASMN1; SMN2MEN1
Ammonia Solution, Strong SCHEMBL29210102 0.79 CYP19A1 (0.95) P2RX4CYP19A1KMT2ASMN1; SMN2MEN1
Bromide SCHEMBL28888744 0.79 CYP19A1 (0.95) P2RX4CYP19A1KMT2ASMN1; SMN2MEN1
SCHEMBL21365448 0.79 P2RX4 (0.68) P2RX4CYP19A1NTRK1KMT2ASMN1; SMN2

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-105062466-A Quinacridones-containing organic electroluminescence material and preparation method thereof JILIN OPTICAL & ELECTRONIC MATERIALS CO LTD 2015-11-18 CN disclosed