SCHEMBL5308342

SCHEMBL5308342

COc1ccccc1-c1c(C)nn(Cc2cccc(C)c2)c(=O)c1CCc1cccc(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.48
RXFP1 Q9HBX9 1/20 0.43
MAPT P10636 4/20 0.43
CHEK1 O14757 1/20 0.41
NEK2 P51955 1/20 0.41
LIMK1 P53667 1/20 0.41
TYRO3 Q06418 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
P2RX7 Q99572 1/20 0.41
GNRHR P30968 1/20 0.41
ROCK2 O75116 2/20 0.40
CASR P41180 2/20 0.40
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
CHRM1 P11229 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 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
SCHEMBL5307935 0.94 TP53 (0.44) POLBRXFP1MAPTP2RX7GNRHR
SCHEMBL5312354 0.93 TP53 (0.42) POLBRXFP1MAPTP2RX7GNRHR
SCHEMBL5307893 0.91 THRB (0.41) POLBRXFP1MAPTP2RX7GNRHR
SCHEMBL14542013 0.91 MAPT (0.40) POLBRXFP1MAPTP2RX7GNRHR
SCHEMBL5311965 0.90 GNRHR (0.39) POLBRXFP1P2RX7GNRHRROCK2
SCHEMBL5308608 0.88 CHRM1 (0.41) P2RX7GNRHRCASRKDM4ESMN1; SMN2
SCHEMBL5310323 0.87 CASR (0.52) POLBRXFP1MAPTCASRSMN1; SMN2
SCHEMBL5309516 0.87 CASR (0.40) MAPTGNRHRROCK2CASRKDM4E
SCHEMBL14542101 0.87 GNRHR (0.39) POLBGNRHRROCK2CASRKDM4E
SCHEMBL5308637 0.87 P2RX7 (0.42) MAPTP2RX7GNRHRCASRKDM4E

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-2007044796-A2 PYRIDAZINONE COMPOUNDS AS CALCILYTICS NPS PHARMACEUTICALS, INC. (US) 2007-04-19 WO disclosed
WO-2007044796-A2 PYRIDAZINONE COMPOUNDS AS CALCILYTICS NPS PHARMACEUTICALS, INC. (US) 2007-04-19 WO disclosed