SCHEMBL5225080

SCHEMBL5225080

CSc1ccc(-c2nnc(Sc3ccccc3)cc2-c2ccc(Sc3ccccc3)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.50
ALDH1A1 P00352 3/20 0.50
LMNA P02545 2/20 0.50
ATM Q13315 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CSNK1D P48730 4/20 0.40
MAPK14 Q16539 4/20 0.40
MAPK11 Q15759 3/20 0.40
CNR1 P21554 2/20 0.38
PTGS2 P35354 4/20 0.36
PTGS1 P23219 2/20 0.35

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
SCHEMBL5221810 0.82 ALDH1A1 (0.46) NPSR1ALDH1A1LMNAATMSMN1; SMN2
SCHEMBL5227807 0.78 ALDH1A1 (0.42) NPSR1ALDH1A1LMNAATMSMN1; SMN2
SCHEMBL5223523 0.77 PTGS1 (0.47) NPSR1ALDH1A1MEN1KMT2ACSNK1D
SCHEMBL5229288 0.77 NPSR1 (0.42) NPSR1ALDH1A1LMNAATMSMN1; SMN2
SCHEMBL19114473 0.74 PTGS2 (0.52) ALDH1A1LMNASMN1; SMN2L3MBTL1MEN1
Diphenylsulfane SCHEMBL8484020 0.72 ALDH1A1 (0.52) ALDH1A1LMNASMN1; SMN2L3MBTL1MEN1
SCHEMBL17283468 0.72 ALDH1A1 (0.52) ALDH1A1LMNASMN1; SMN2L3MBTL1MEN1
SCHEMBL9018824 0.72 ALDH1A1 (0.52) ALDH1A1LMNASMN1; SMN2L3MBTL1MEN1
SCHEMBL5223261 0.72 GSK3B (0.42) NPSR1ALDH1A1LMNAATMSMN1; SMN2
SCHEMBL5224594 0.71 ADORA2A (0.41) NPSR1ALDH1A1LMNAATMSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1300399-B1 PHENYLPYRIDAZINE DERIVATIVES AND DRUGS CONTAINING THE SAME KOWA CO (JP) 2007-08-22 EP claimed
US-6664256-B1 Interleukin- 1 beta inhibitors KOWA CO., LTD. (JP) 2003-12-16 US claimed
EP-1300399-A1 PHENYLPYRIDAZINE DERIVATIVES AND DRUGS CONTAINING THE SAME Kowa Co., Ltd. (JP) 2003-04-09 EP claimed
EP-1300399-B1 PHENYLPYRIDAZINE DERIVATIVES AND DRUGS CONTAINING THE SAME KOWA CO (JP) 2007-08-22 EP disclosed
EP-1300399-B1 PHENYLPYRIDAZINE DERIVATIVES AND DRUGS CONTAINING THE SAME KOWA CO (JP) 2007-08-22 EP disclosed
US-6664256-B1 Interleukin- 1 beta inhibitors KOWA CO., LTD. (JP) 2003-12-16 US disclosed
EP-1300399-A1 PHENYLPYRIDAZINE DERIVATIVES AND DRUGS CONTAINING THE SAME Kowa Co., Ltd. (JP) 2003-04-09 EP disclosed