SCHEMBL10148598

SCHEMBL10148598

C=C(C)/C(=C\C(Cl)=N/N)c1cc(C(F)(F)F)ccc1OC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.35
▸ CFTR P13569 1/20 0.35
▸ RAB9A P51151 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ ESRRA P11474 1/20 0.34
▸ PTPN7 P35236 1/20 0.33
▸ DUSP3 P51452 1/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ NQO2 P16083 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ CNR2 P34972 2/20 0.32

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
SCHEMBL16962658 0.70 L3MBTL1 (0.45) MAPTCFTRRAB9AL3MBTL1PTPN7
SCHEMBL344681 0.70 MAPT (0.48) MAPTCFTRKDM4EALDH1A1HPGD
SCHEMBL5316664 0.70 DUSP3 (0.48) MAPTCFTRRAB9AL3MBTL1PTPN7
SCHEMBL320173 0.68 CYP2C19 (0.50) MAPTCFTRKDM4EALDH1A1HPGD
SCHEMBL29617695 0.67 CFTR (0.50) MAPTCFTRRAB9AL3MBTL1KDM4E
SCHEMBL4070406 0.67 CFTR (0.62) MAPTCFTRESRRAKDM4EALDH1A1
SCHEMBL4638408 0.67 CFTR (0.50) MAPTCFTRRAB9AL3MBTL1KDM4E
SCHEMBL345774 0.65 KDM4E (0.58) CFTRKDM4EALDH1A1HPGDCYP2C19
SCHEMBL8116935 0.64 SLC9A1 (0.50) MAPTCFTRCNR2CNR1
SCHEMBL10148475 0.64 PTGS2 (0.35) MAPTCFTRRAB9AL3MBTL1KDM4E

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
WO-2012004706-A2 CHEMICAL COMPOUNDS PFIZER LIMITED (GB) 2012-01-12 — — WO disclosed
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