SCHEMBL10465880

SCHEMBL10465880

COc1ccc(Cn2cc(CC#N)c3cc(CS(N)(=O)=O)ccc32)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.47
HTR6 P50406 2/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNA7 P36544 1/20 0.43
CHRNA4 P43681 1/20 0.43
EGFR P00533 1/20 0.42
IGF1R P08069 1/20 0.42
FLT4 P35916 1/20 0.42
KDR P35968 1/20 0.42
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
PPARG P37231 1/20 0.42
PPARD Q03181 1/20 0.42
PPARA Q07869 1/20 0.42
TP53 P04637 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
LMNA P02545 1/20 0.41
HDAC3 O15379 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC4 P56524 1/20 0.41

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
SCHEMBL10465854 0.90 PLA2G2A (0.46) PLA2G2AHTR6MTNR1AMTNR1BPPARG
SCHEMBL10464728 0.90 EGFR (0.41) PLA2G2AHTR6EGFRIGF1RFLT4
SCHEMBL10465857 0.88 CACNB4 (0.46) HTR6TP53RXFP1XDHMAPT
SCHEMBL10465576 0.88 EGFR (0.45) PLA2G2AHTR6EGFRIGF1RFLT4
SCHEMBL10465308 0.87 CACNB4 (0.42) PLA2G2AHTR6KDRPPARGPPARD
SCHEMBL10465300 0.85 EGFR (0.57) PLA2G2AHTR6CHRNB2CHRNA7CHRNA4
SCHEMBL10465887 0.82 HTR6 (0.66) HTR6
SCHEMBL10464113 0.82 MTNR1A (0.52) PLA2G2AHTR6CHRNB2CHRNA7CHRNA4
SCHEMBL9765119 0.79 CA2 (0.39) HTR6MTNR1AMTNR1B
SCHEMBL10465297 0.76 EGFR (0.53) HTR6EGFRIGF1RFLT4KDR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4894387-A RELIEF FROM PAIN FROM VASODILATION GLAXO GROUP LIMITED (GB) 1990-01-16 US disclosed
EP-0147107-B1 INDOLE DERIVATES GLAXO GROUP LIMITED (GB) 1989-08-02 EP disclosed
EP-0147107-A1 Indole derivates GLAXO GROUP LIMITED (GB) 1985-07-03 EP disclosed