SCHEMBL11113522

SCHEMBL11113522

CC1=Cc2ccccc2N(C(=O)Cl)c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 8/20 0.45
CES1 P23141 3/20 0.39
LMNA P02545 2/20 0.39
TSHR P16473 3/20 0.39
MAPK1 P28482 2/20 0.39
SCN4A P35499 1/20 0.39
SCN5A Q14524 1/20 0.39
SCN9A Q15858 1/20 0.39
ALDH1A1 P00352 2/20 0.38
P2RX1 P51575 3/20 0.38
P2RX3 P56373 3/20 0.38
P2RX7 Q99572 2/20 0.38
USP2 O75604 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
CASP1 P29466 1/20 0.37
BRCA1 P38398 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 2/20 0.36
PTBP1 P26599 1/20 0.36

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
SCHEMBL11111113 0.84 LMNA (0.59) P2RX4CES1LMNATSHRMAPK1
SCHEMBL14305634 0.82 P2RX4 (0.46) P2RX4CES1LMNATSHRMAPK1
SCHEMBL11114101 0.81 BCHE (0.50) P2RX4CES1LMNATSHRMAPK1
SCHEMBL11622785 0.81 P2RX4 (0.45) P2RX4CES1LMNATSHRMAPK1
SCHEMBL4458688 0.80 P2RX4 (0.43) P2RX4CES1LMNATSHRMAPK1
SCHEMBL11480627 0.77 GPR84 (0.42) P2RX4CES1LMNATSHRMAPK1
SCHEMBL8218074 0.77 P2RX4 (0.41) P2RX4CES1LMNATSHRMAPK1
SCHEMBL2211282 0.75 LMNA (0.64) P2RX4LMNATSHRMAPK1SCN4A
SCHEMBL12459415 0.72 GPR84 (0.54) CES1LMNAMAPK1ALDH1A1MEN1
SCHEMBL31741246 0.72 P2RX4 (0.53) P2RX4CES1LMNATSHRMAPK1

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-0108715-A1 Dibenzazepine carboxamides CIBA-GEIGY AG (CH) 1984-05-16 EP disclosed