SCHEMBL8802133

SCHEMBL8802133

Cc1cc(C)cc(-c2cccc(C(=O)N=C(N)N)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 9/20 0.51
DHODH Q02127 2/20 0.49
HTR7 P34969 4/20 0.44
HTR2B P41595 4/20 0.44

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
Hydrochloric Acid SCHEMBL7830653 0.91 SLC9A1 (0.58) SLC9A1DHODHHTR7HTR2B
SCHEMBL1387930 0.83 KMO (0.56) SLC9A1DHODHHTR7HTR2B
SCHEMBL7827609 0.83 SLC9A1 (0.55) SLC9A1
SCHEMBL27400137 0.83 SLC9A1 (0.55) SLC9A1
Hydrochloric Acid SCHEMBL7823537 0.82 KMO (0.55) SLC9A1DHODHHTR7HTR2B
SCHEMBL27365505 0.82 DHODH (0.64) DHODH
SCHEMBL12858740 0.82 PARP1 (0.63) SLC9A1HTR7HTR2B
SCHEMBL9392947 0.79 SLC9A1 (0.59) SLC9A1HTR7HTR2B
SCHEMBL8444457 0.79 DHODH (0.40) SLC9A1DHODH
Hydrochloric Acid SCHEMBL7816188 0.78 SLC9A1 (0.58) SLC9A1HTR7HTR2B

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
EP-0773927-A2 BENZOYLGUANIDINE DERIVATIVES AS MEDICAMENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-21 EP disclosed
WO-1996004241-A2 BENZOYLGUANIDINE DERIVATIVES AS MEDICAMENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-02-15 WO disclosed