SCHEMBL9709624

SCHEMBL9709624

C(c1cccnc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 3/20 0.57
CYP11B1 P15538 1/20 0.57
CYP19A1 P11511 2/20 0.49
ALDH1A1 P00352 3/20 0.47
G6PC1 P35575 1/20 0.45
KMT2A Q03164 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 2/20 0.44
VCP P55072 1/20 0.43
KCNA5 P22460 3/20 0.42
KCNN4 O15554 2/20 0.42
MAPT P10636 3/20 0.42
MAPK1 P28482 3/20 0.42
POLB P06746 1/20 0.42
KDM4E B2RXH2 1/20 0.42
JUN P05412 1/20 0.42
NFKB1 P19838 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42
CYP1A2 P05177 3/20 0.41

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
SCHEMBL1132385 0.79 ALDH1A1 (0.39) CYP19A1ALDH1A1KMT2AMEN1MAPT
SCHEMBL3142532 0.73 CYP11B2 (0.68) CYP11B2CYP11B1CYP19A1ALDH1A1G6PC1
SCHEMBL31668803 0.73 CYP11B2 (1.00) CYP11B2CYP11B1CYP19A1ALDH1A1KMT2A
SCHEMBL9268248 0.73 CYP11B2 (1.00) CYP11B2CYP11B1CYP19A1ALDH1A1KMT2A
SCHEMBL5496395 0.73 CYP11B2 (1.00) CYP11B2CYP11B1CYP19A1ALDH1A1KMT2A
SCHEMBL15242510 0.70 ALDH1A1 (0.58) CYP11B2CYP11B1ALDH1A1G6PC1KMT2A
Benzaldehyde SCHEMBL6051056 0.69 ALDH1A1 (0.61) ALDH1A1KMT2AMEN1MAPK1CYP2A6
Styrene SCHEMBL10710522 0.69 CYP11B2 (0.63) CYP11B2CYP11B1CYP19A1ALDH1A1G6PC1
SCHEMBL29691623 0.69 CYP11B1 (0.86) CYP11B2CYP11B1ALDH1A1KMT2ANPC1
SCHEMBL29691639 0.69 CYP11B1 (0.86) CYP11B2CYP11B1ALDH1A1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7176314-B2 IkB kinases (IKK) enzyme inhibitors, a imidazole-5-yl-quinoline derivatives compounds AMGEN, INC. (US) 2007-02-13 US disclosed
US-5153214-A Treating cardiovascular disorders CIBA-GEIGY CORPORATION (US) 1992-10-06 US disclosed
EP-0493324-A1 Certain (arylsulfonamido- and pyridyl- or imidazolyl-)-substituted carboxylic acids and derivatives thereof CIBA-GEIGY AG (CH) 1992-07-01 EP disclosed
US-5025025-A Cardiovascular disorders CIBA-GEIGY CORPORATION (US) 1991-06-18 US disclosed
EP-0405391-A1 Certain (arylsulfonamido- and pyridyl- or imidazolyl-)-substituted carboxylic acids and derivatives thereof CIBA-GEIGY AG (CH) 1991-01-02 EP disclosed