SCHEMBL23355286

SCHEMBL23355286

O=C(NCc1ccccc1N1CCOCC1)c1ccnnc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 4/20 0.60
SCN2A Q99250 3/20 0.60
SMN1; SMN2 Q16637 3/20 0.47
BRD4 O60885 2/20 0.47
BRD9 Q9H8M2 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 2/20 0.46
MAPT P10636 2/20 0.46
POLB P06746 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
SLC40A1 Q9NP59 1/20 0.45
MAPK8 P45983 1/20 0.43
SCN9A Q15858 1/20 0.43

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
SCHEMBL23355278 0.85 SCN10A (0.64) SCN10ASCN2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL23327687 0.83 SCN10A (0.67) SCN10ASCN2ASMN1; SMN2BRD4BRD9
SCHEMBL23327934 0.78 SCN10A (0.74) SCN10ASCN2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL2939291 0.78 SCN2A (0.54) SCN10ASCN2ASMN1; SMN2BRD4BRD9
SCHEMBL5281170 0.76 SCN2A (0.53) SCN10ASCN2ASMN1; SMN2BRD4BRD9
SCHEMBL23327945 0.76 SCN10A (0.58) SCN10ASCN2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL14108028 0.75 SCN2A (0.60) SCN10ASCN2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL23327959 0.74 SCN10A (0.56) SCN10ASCN2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL23328014 0.74 SCN10A (0.56) SCN10ASCN2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL4638791 0.73 SCN2A (0.53) SCN10ASCN2ASMN1; SMN2ALDH1A1MAPT

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-3820860-A1 PYRIDAZINE COMPOUNDS FOR INHIBITING NAV1.8 Lieber Institute, Inc. (US) 2021-05-19 EP disclosed