SCHEMBL8724368

SCHEMBL8724368

C1=C(n2ccnc2)CCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 4/20 0.44
CYP11B1 P15538 3/20 0.44
CYP3A4 P08684 3/20 0.39
LMNA P02545 2/20 0.37
MAPT P10636 1/20 0.37
ENPP2 Q13822 1/20 0.37
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
NOTUM Q6P988 1/20 0.37
CYP19A1 P11511 1/20 0.36
CYP2A6 P11509 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
IDO1 P14902 2/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL2073935 0.94 CYP11B2 (0.42) CYP11B2CYP11B1CYP3A4LMNAMAPT
SCHEMBL27883558 0.85
SCHEMBL16323777 0.77 CYP11B2 (0.41) CYP11B2CYP11B1CYP3A4LMNAMAPT
SCHEMBL29026724 0.76
SCHEMBL8724347 0.74 CYP3A4 (0.45) CYP11B2CYP11B1CYP3A4LMNAMAPT
SCHEMBL16323717 0.72 MAPT (0.48) CYP11B2CYP11B1CYP3A4LMNAMAPT
SCHEMBL5600749 0.72 LMNA (0.37) LMNAMAPT
SCHEMBL29163972 0.70
SCHEMBL8726118 0.69 CYP3A4 (0.45) CYP11B2CYP11B1CYP3A4LMNAMAPT
SCHEMBL16323988 0.69 CYP11B2 (0.36) CYP11B2CYP11B1CYP3A4LMNAMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113215378-A Anti-corrosion treatment method for low-alloy steel pipe of ship boiler 哈尔滨锅炉厂有限责任公司 2021-08-06 CN disclosed
WO-1998000430-A1 IMIDAZOL DERIVATIVES USEFUL AS NITROGEN MONOXIDE SYNTHASE INHIBITORS SCHERING AKTIENGESELLSCHAFT (DE) 1998-01-08 WO disclosed