SCHEMBL8795385

SCHEMBL8795385

NCCCCOc1ccc(-n2cnnn2)cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.61
TDP1 Q9NUW8 2/20 0.61
BLM P54132 1/20 0.61
MAPT P10636 2/20 0.53
ALDH1A1 P00352 1/20 0.53
PKM P14618 1/20 0.53
NOTUM Q6P988 2/20 0.47
F2 P00734 1/20 0.47
CYP3A4 P08684 1/20 0.47
KMT2A Q03164 3/20 0.46
ATF4 P18848 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
ATM Q13315 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CYP19A1 P11511 1/20 0.46
KCNJ1 P48048 1/20 0.45
MEN1 O00255 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44

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
Hydrochloric Acid SCHEMBL8487010 0.98 POLB (0.59) POLBTDP1BLMMAPTALDH1A1
SCHEMBL4202083 0.84 CYP19A1 (0.63) POLBTDP1BLMMAPTALDH1A1
Hydrochloric Acid SCHEMBL8795178 0.82 CYP19A1 (0.60) POLBTDP1BLMMAPTALDH1A1
SCHEMBL4207158 0.81 POLB (0.60) POLBTDP1BLMMAPTALDH1A1
SCHEMBL4203506 0.78 CYP3A4 (0.69) POLBTDP1BLMMAPTALDH1A1
SCHEMBL8482951 0.75 RAB9A (0.56) POLBTDP1BLMMAPTALDH1A1
SCHEMBL4205316 0.75 POLB (0.60) POLBTDP1BLMMAPTALDH1A1
SCHEMBL12615985 0.74 NOTUM (0.78) POLBTDP1BLMMAPTALDH1A1
SCHEMBL8381009 0.73 NOTUM (0.51) POLBTDP1BLMMAPTALDH1A1
SCHEMBL17019881 0.73 POLB (0.78) POLBTDP1BLMMAPTALDH1A1

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-0792873-A1 N-(Phenoxyalkyl) carboxamides and their use as antiarrhythmic agents American Cyanamid Company (US) 1997-09-03 EP disclosed