SCHEMBL7541993

SCHEMBL7541993

N#Cc1ccccc1N.[Co]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.57
CYP1A2 P05177 3/20 0.57
CYP2C9 P11712 3/20 0.57
CYP2C19 P33261 3/20 0.57
KDM4E B2RXH2 6/20 0.48
ALDH1A1 P00352 6/20 0.48
MAPT P10636 4/20 0.48
HPGD P15428 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HSD17B10 Q99714 2/20 0.48
NPC1 O15118 1/20 0.48
TSHR P16473 3/20 0.48
ALOX15 P16050 1/20 0.45
CASP1 P29466 1/20 0.45
CASP7 P55210 1/20 0.45
GAA P10253 2/20 0.42
HTT P42858 2/20 0.42
LMNA P02545 1/20 0.42

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
SCHEMBL29565104 0.97
SCHEMBL71324 0.97
Bromide SCHEMBL27523623 0.95 CYP3A4 (0.57) CYP3A4CYP1A2CYP2C9CYP2C19KDM4E
Iodide SCHEMBL4017979 0.95 CYP3A4 (0.57) CYP3A4CYP1A2CYP2C9CYP2C19KDM4E
Ammonia Solution, Strong SCHEMBL27579641 0.95 CYP3A4 (0.57) CYP3A4CYP1A2CYP2C9CYP2C19KDM4E
Methane SCHEMBL28845870 0.95 CYP3A4 (0.57) CYP3A4CYP1A2CYP2C9CYP2C19KDM4E
Hydrochloric Acid SCHEMBL6679000 0.95 CYP3A4 (0.57) CYP3A4CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL13518495 0.86 CYP3A4 (0.50) CYP3A4CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL27588238 0.84 CYP3A4 (0.48) CYP3A4CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL29217298 0.83 KDM4E (0.59) CYP3A4CYP1A2CYP2C9CYP2C19KDM4E

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
US-20020052253-A1 One-piece solid golf ball SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2002-05-02 US disclosed