SCHEMBL7684568

SCHEMBL7684568

O=CC=Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
LMNA P02545 2/20 0.39
MAPK1 P28482 2/20 0.39
TRPA1 O75762 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ALOX5 P09917 1/20 0.39
ENPP2 Q13822 1/20 0.36
SIRT2 Q8IXJ6 13/20 0.36
CDK4 P11802 2/20 0.33
CCND1 P24385 2/20 0.33
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
CCNB3 Q8WWL7 1/20 0.33
MEN1 O00255 1/20 0.31
SLC22A1 O15245 1/20 0.31
KCNN4 O15554 1/20 0.31
NR1I2 O75469 1/20 0.31
GMNN O75496 1/20 0.31

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
SCHEMBL7684566 1.00 CYP11B1 (0.40) CYP11B1CYP11B2LMNAMAPK1TRPA1
SCHEMBL312750 0.85 CYP11B1 (0.43) CYP11B1CYP11B2LMNAMAPK1ALDH1A1
SCHEMBL8687555 0.84 CYP11B1 (0.42) CYP11B1CYP11B2LMNAMAPK1ALDH1A1
SCHEMBL26704592 0.81 KDM4E (0.44) CYP11B1CYP11B2LMNAALDH1A1ENPP2
SCHEMBL6714982 0.80 RAB9A (0.42) CYP11B1CYP11B2LMNAENPP2SIRT2
SCHEMBL6714980 0.80 RAB9A (0.42) CYP11B1CYP11B2LMNAENPP2SIRT2
SCHEMBL4686324 0.80 CYP11B1 (0.36) CYP11B1CYP11B2ENPP2SIRT2
SCHEMBL19808692 0.79 ENPP2 (0.39) CYP11B1CYP11B2LMNAMAPK1TRPA1
SCHEMBL4022652 0.79 CYP11B1 (0.43) CYP11B1CYP11B2LMNAMAPK1ALDH1A1
SCHEMBL4695995 0.77 ENPP2 (0.35) CYP11B1CYP11B2ENPP2SIRT2

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
US-6492392-B1 INHIBITING TUMOR CELL PROLIFERATION KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-12-10 US disclosed
US-6355665-B1 ANTIHISTAMINES, ANTIALLERGENS AND IRRITABLE BOWEL SYNDROME. JAMES BLACK FOUNDATION LIMITED (GB) 2002-03-12 US disclosed