SCHEMBL27477705

SCHEMBL27477705

[CH2][C@](C)(c1ccccc1)n1ccnc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 4/20 0.62
CYP11B2 P19099 4/20 0.62
CYP19A1 P11511 8/20 0.50
CYP17A1 P05093 4/20 0.50
CYP3A4 P08684 4/20 0.50
NR1I2 O75469 2/20 0.50
ADORA3 P0DMS8 2/20 0.50
TBXA2R P21731 2/20 0.50
CCKBR P32239 2/20 0.50
OPRK1 P41145 2/20 0.50
SLC6A3 Q01959 2/20 0.50
KCNH2 Q12809 2/20 0.50
NR1H4 Q96RI1 2/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2D6 P10635 2/20 0.50
MAPT P10636 2/20 0.50
TBXAS1 P24557 2/20 0.50
MEN1 O00255 1/20 0.50
SLC22A1 O15245 1/20 0.50
KCNN4 O15554 1/20 0.50

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
SCHEMBL29201351 0.81 CYP11B1 (0.67) CYP11B1CYP11B2CYP19A1CYP17A1CYP3A4
Iodide SCHEMBL29201305 0.80 CYP11B1 (0.65) CYP11B1CYP11B2CYP19A1CYP17A1CYP3A4
Hydrochloric Acid SCHEMBL29201340 0.80 CYP11B1 (0.65) CYP11B1CYP11B2CYP19A1CYP17A1CYP3A4
Bromide SCHEMBL29201437 0.80 CYP11B1 (0.65) CYP11B1CYP11B2CYP19A1CYP17A1CYP3A4
SCHEMBL11373170 0.79 CYP11B1 (0.62) CYP11B1CYP11B2CYP19A1CYP17A1CYP3A4
SCHEMBL332630 0.77 CYP11B1 (1.00) CYP11B1CYP11B2CYP19A1CYP17A1CYP3A4
Formaldehyde SCHEMBL27502810 0.76 CYP11B1 (0.89) CYP11B1CYP11B2CYP19A1CYP17A1CYP3A4
Methyl Alcohol SCHEMBL27766624 0.76 CYP11B1 (0.89) CYP11B1CYP11B2CYP19A1CYP17A1CYP3A4
Bicarbonate SCHEMBL29201300 0.76 CYP11B1 (0.59) CYP11B1CYP11B2CYP19A1CYP17A1CYP3A4
SCHEMBL1420012 0.75 CYP11B1 (0.62) CYP11B1CYP11B2CYP19A1CYP17A1CYP3A4

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
CN-1171874-C Combinations of protein farnesyltransferase and HMG COA reductase inhibitors and their use to treat cancer ��ʲ 2004-10-20 CN disclosed