SCHEMBL16456582

SCHEMBL16456582

Cc1ccc(-c2ccccn2)cc1-c1ccc(NC(=O)Oc2snnc2C)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 3/20 0.43
▸ PORCN Q9H237 2/20 0.39
▸ TRPV1 Q8NER1 2/20 0.39
▸ CNR1 P21554 1/20 0.39
▸ SMO Q99835 1/20 0.38
▸ LMNA P02545 1/20 0.36
▸ CASP3 P42574 2/20 0.36
▸ CASP7 P55210 2/20 0.36
▸ GRM4 Q14833 1/20 0.35
▸ PTPN1 P18031 1/20 0.35
▸ CHEK2 O96017 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.34

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
SCHEMBL8260401 0.83 LMNA (0.57) MAPK14TRPV1LMNAKDM4EALDH1A1
SCHEMBL16456528 0.83 ABL1 (0.42) MAPK14PORCNSMOCHEK2
SCHEMBL16456523 0.83 PORCN (0.52) PORCNCNR1
SCHEMBL16456595 0.81 MAPK14 (0.37) MAPK14PORCNPOLBMAPT
SCHEMBL2787427 0.72 STIM1 (0.48) KDM4EALDH1A1POLBMAPTHPGD
SCHEMBL2784228 0.72 KDM4E (0.42) PORCNLMNAKDM4EALDH1A1POLB
SCHEMBL4764906 0.72 IL2 (0.60) MAPK14TRPV1
SCHEMBL14562873 0.71 IL2 (0.42) MAPK14PORCN
SCHEMBL15463135 0.71 MAPK14 (0.49) MAPK14TRPV1CNR1SMOGRM4
SCHEMBL2785129 0.71 MAPT (0.41) ALDH1A1POLBMAPTHPGD

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-1846372-B1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2014-04-16 — — EP claimed
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