SCHEMBL5308608

SCHEMBL5308608

COc1ccccc1-c1c(C)nn(Cc2ccccc2C)c(=O)c1CCc1cccc(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
GNRHR P30968 3/20 0.40
CASR P41180 3/20 0.40
KDM4E B2RXH2 2/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
TAAR1 Q96RJ0 1/20 0.37
P2RX7 Q99572 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL14542101 0.91 GNRHR (0.39) CHRM1MEN1KMT2AGNRHRCASR
SCHEMBL5308637 0.91 P2RX7 (0.42) MEN1KMT2AGNRHRCASRKDM4E
SCHEMBL5307935 0.91 TP53 (0.44) MEN1KMT2AGNRHRCASRKDM4E
SCHEMBL5312354 0.88 TP53 (0.42) CHRM1MEN1KMT2AGNRHRCASR
SCHEMBL5308342 0.88 POLB (0.48) CHRM1MEN1KMT2AGNRHRCASR
SCHEMBL5310639 0.88 CASR (0.48) MEN1KMT2AGNRHRCASRCYP1A2
SCHEMBL5310145 0.87 CASR (0.51) CHRM1CASRKDM4EALDH1A1HPGD
SCHEMBL5311950 0.87 GNRHR (0.37) CHRM1MEN1KMT2AGNRHRCASR
SCHEMBL5307893 0.87 THRB (0.41) MEN1KMT2AGNRHRCASRKDM4E
SCHEMBL14542013 0.87 MAPT (0.40) MEN1KMT2AGNRHRCASRKDM4E

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