SCHEMBL7370832

SCHEMBL7370832

Cc1nc(-c2ccccc2N)[nH]c1-c1cccnc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.52
CYP11B2 P19099 1/20 0.52
KDM4E B2RXH2 6/20 0.46
MAPT P10636 5/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
ALDH1A1 P00352 4/20 0.46
GAA P10253 2/20 0.46
HPGD P15428 5/20 0.46
GLA P06280 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
HSD17B10 Q99714 1/20 0.46
NPY5R Q15761 3/20 0.45
LDHA P00338 1/20 0.43
EPHX2 P34913 1/20 0.43
HTT P42858 2/20 0.42
STAT1 P42224 1/20 0.42
DYRK1A Q13627 1/20 0.41
KMT2A Q03164 2/20 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
SCHEMBL27674584 0.91 CYP11B1 (0.49) CYP11B1CYP11B2KDM4EMAPTSMN1; SMN2
SCHEMBL7370892 0.86 NPY5R (0.57) CYP11B1CYP11B2KDM4EMAPTSMN1; SMN2
SCHEMBL7369697 0.84 NPY5R (0.54) CYP11B1CYP11B2KDM4EMAPTSMN1; SMN2
SCHEMBL7376655 0.84 MGAM (0.52) CYP11B1CYP11B2KDM4EMAPTSMN1; SMN2
SCHEMBL7369715 0.84 CYP11B1 (0.52) CYP11B1CYP11B2KDM4EMAPTSMN1; SMN2
SCHEMBL7372656 0.82 ALOX5 (0.50) CYP11B1CYP11B2KDM4EMAPTSMN1; SMN2
SCHEMBL27692933 0.82 CYP11B1 (0.50) CYP11B1CYP11B2KDM4EMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL7369410 0.81 PDE5A (0.58) CYP11B1CYP11B2MAPTSMN1; SMN2ALDH1A1
SCHEMBL7372422 0.81 NPY5R (0.57) CYP11B1CYP11B2KDM4EMAPTSMN1; SMN2
SCHEMBL7372737 0.79 MGAM (0.52) CYP11B1CYP11B2MAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4822805-A ANTIINFLAMMATORY AGENTS, CARDIOTONIC AGENTS, ANTIPLATELET AGENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-04-18 US disclosed
CN-87105680-A Imidazolium compounds and preparation method thereof and comprise the pharmaceutical composition of this compound 1988-04-27 CN disclosed
EP-0257897-A1 Imidazole compounds, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-03-02 EP disclosed