SCHEMBL5752477

SCHEMBL5752477

Cc1ccc(/C=C/c2n[nH]c(=O)c3ccccc23)cn1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PADI4 Q9UM07 1/20 0.44
AR P10275 9/20 0.44
PRMT5 O14744 2/20 0.43
WDR77 Q9BQA1 1/20 0.43
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 2/20 0.40
ATM Q13315 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PARP1 P09874 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL5752478 1.00 PADI4 (0.44) PADI4ARPRMT5WDR77ALDH1A1
SCHEMBL7505673 1.00 PADI4 (0.44) PADI4ARPRMT5WDR77ALDH1A1
SCHEMBL7502157 0.81 CYP11B1 (0.51) PADI4ALDH1A1SMN1; SMN2
SCHEMBL7502145 0.81 CYP11B1 (0.51) PADI4ALDH1A1SMN1; SMN2
SCHEMBL29214135 0.79 ATM (0.51) ARPRMT5ALDH1A1ATMNPSR1
SCHEMBL4832335 0.76 PADI4 (0.44) PADI4PARP1
SCHEMBL4834327 0.76 PADI4 (0.44) PADI4PARP1
SCHEMBL13053141 0.70 CYP11B1 (0.55) ALDH1A1SMN1; SMN2NPSR1TSHR
SCHEMBL9000469 0.70 GRM4 (0.39) PADI4ALDH1A1SMN1; SMN2NPSR1
SCHEMBL4819165 0.70 AR (0.51) ARPRMT5WDR77ALDH1A1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1165085-B1 PHTHALAZINE DERIVATIVES FOR TREATING INFLAMMATORY DISEASES NOVARTIS AG (CH) 2006-06-14 EP disclosed