SCHEMBL10984615

SCHEMBL10984615

COc1cc(N2CCCCC2)c(Cl)cc1CC(=O)S

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.43
KMT2A Q03164 5/20 0.42
MEN1 O00255 3/20 0.42
ALDH1A1 P00352 3/20 0.41
MAPT P10636 2/20 0.41
GAA P10253 4/20 0.40
GFER P55789 2/20 0.40
KDM4E B2RXH2 1/20 0.40
RECQL P46063 1/20 0.40
HPGD P15428 1/20 0.39
HTR4 Q13639 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
HTR3A P46098 1/20 0.38
LMNA P02545 1/20 0.37
ALDH1A3 P47895 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
SCHEMBL10994115 0.88 HSD17B10 (0.43) S1PR1KMT2AMEN1ALDH1A1MAPT
SCHEMBL11064928 0.88 MAPK1 (0.45) KMT2AMEN1ALDH1A1MAPTGAA
SCHEMBL10984618 0.83 S1PR1 (0.42) S1PR1KMT2AMEN1ALDH1A1MAPT
SCHEMBL10982953 0.80 HTR2A (0.41) S1PR1KMT2AMEN1ALDH1A1MAPT
SCHEMBL11042493 0.79 S1PR1 (0.41) S1PR1KMT2AMEN1ALDH1A1MAPT
SCHEMBL11065996 0.76 MAPK1 (0.46) KMT2AMEN1ALDH1A1MAPTGAA
SCHEMBL10986476 0.76 S1PR1 (0.48) S1PR1KMT2AMEN1ALDH1A1MAPT
SCHEMBL11064926 0.71 LMNA (0.44) KMT2AMEN1ALDH1A1MAPTGAA
Hydrochloric Acid SCHEMBL30801151 0.69 MAPT (0.56) KMT2AMEN1ALDH1A1MAPTGAA
SCHEMBL10987800 0.69 KDM4E (0.41) KMT2AMEN1ALDH1A1MAPTGAA

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-4558043-A Heterocyclicamino containing benzofurans and 2,3-dihydrobenzofurans, compositions and use CIBA GEIGY CORPORATION (US) 1985-12-10 US disclosed
US-4451462-A Method of treating inflammation and pain using heteramino benzofurans CIBA-GEIGY CORPORATION (US) 1984-05-29 US disclosed
US-4426380-A ANTIINFLAMMATORY, ANALGESIC, SUNSCREEN CIBA-GEIGY CORPORATION (US) 1984-01-17 US disclosed