SCHEMBL11114965

SCHEMBL11114965

NC(=O)N1c2cc(Cl)ccc2C=Cc2ccc(Cl)cc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 4/20 0.57
LMNA P02545 1/20 0.56
TSHR P16473 1/20 0.56
MAPK1 P28482 1/20 0.56
SCN4A P35499 1/20 0.56
SCN5A Q14524 1/20 0.56
SCN9A Q15858 1/20 0.56
BCHE P06276 3/20 0.38
ACHE P22303 3/20 0.38
HSD17B3 P37058 1/20 0.37
MYC P01106 1/20 0.37
PARP1 P09874 1/20 0.36
NOTUM Q6P988 1/20 0.36
HTR1A P08908 1/20 0.36
HTR2A P28223 1/20 0.36
HTR7 P34969 1/20 0.36
HTR6 P50406 1/20 0.36
ALDH1A1 P00352 3/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL11116245 0.92 LMNA (0.72) P2RX4LMNATSHRMAPK1SCN4A
SCHEMBL11111792 0.78 P2RX4 (0.57) P2RX4LMNATSHRMAPK1SCN4A
SCHEMBL11114782 0.76 NOTUM (0.53) SCN9AHSD17B3NOTUMHTR2A
Carbamazepine SCHEMBL29433237 0.72 LMNA (1.00) P2RX4LMNATSHRMAPK1SCN4A
Carbamazepine SCHEMBL29360181 0.72 LMNA (1.00) P2RX4LMNATSHRMAPK1SCN4A
Carbamazepine SCHEMBL21639 0.72 LMNA (1.00) P2RX4LMNATSHRMAPK1SCN4A
Carbamazepine SCHEMBL6477112 0.72 LMNA (1.00) P2RX4LMNATSHRMAPK1SCN4A
Carbamazepine SCHEMBL31685158 0.72 LMNA (1.00) P2RX4LMNATSHRMAPK1SCN4A
SCHEMBL19263427 0.71 LMNA (0.72) P2RX4LMNATSHRMAPK1SCN4A
Carbamazepine SCHEMBL5382102 0.71 LMNA (0.96) P2RX4LMNATSHRMAPK1SCN4A

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