SCHEMBL15554309

SCHEMBL15554309

CCc1ccc(CC(C(=O)NC(=N)N)c2ccccc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CRHBP P24387 1/20 0.52
▸ CRHR2 Q13324 1/20 0.52
▸ EPHX1 P07099 1/20 0.51
▸ POLB P06746 1/20 0.44
▸ BACE1 P56817 1/20 0.43
▸ BACE2 Q9Y5Z0 1/20 0.43
▸ KDM4A O75164 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ CHRM1 P11229 5/20 0.41
▸ PPARG P37231 1/20 0.41
▸ PPARA Q07869 1/20 0.41
▸ GCGR P47871 1/20 0.40
▸ UBE2N P61088 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ S1PR3 Q99500 1/20 0.39
▸ SOAT1 P35610 1/20 0.39

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
SCHEMBL15553366 1.00 CRHBP (0.52) CRHBPCRHR2EPHX1POLBBACE1
SCHEMBL15552462 1.00 CRHBP (0.52) CRHBPCRHR2EPHX1POLBBACE1
Hydrochloric Acid SCHEMBL15559325 0.99 CRHBP (0.51) CRHBPCRHR2EPHX1POLBBACE1
SCHEMBL15555286 0.90 EPHX1 (0.63) EPHX1POLBBACE1BACE2KDM4A
SCHEMBL15554157 0.90 EPHX1 (0.63) EPHX1POLBBACE1BACE2KDM4A
SCHEMBL15553655 0.90 EPHX1 (0.63) EPHX1POLBBACE1BACE2KDM4A
SCHEMBL15553297 0.89 EPHX1 (0.51) EPHX1POLBBACE1BACE2MEN1
SCHEMBL15553274 0.89 EPHX1 (0.51) EPHX1POLBBACE1BACE2MEN1
Hydrochloric Acid SCHEMBL15554159 0.89 EPHX1 (0.61) EPHX1POLBBACE1BACE2KDM4A
Hydrochloric Acid SCHEMBL15553761 0.89 EPHX1 (0.61) EPHX1POLBBACE1BACE2KDM4A

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
WO-2014016766-A1 GUANIDINE DERIVATIVES AS TRPC MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2014-01-30 — — WO claimed
WO-2014016766-A1 GUANIDINE DERIVATIVES AS TRPC MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2014-01-30 — — WO disclosed
Send feedback