SCHEMBL9535581

SCHEMBL9535581

COc1ccc2c(c1)c(SC)c(C(=O)O)n2-c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.60
EDNRA P25101 9/20 0.56
MAPT P10636 3/20 0.56
HTT P42858 1/20 0.56
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 1/20 0.48
PPARG P37231 2/20 0.47
EDNRB P24530 2/20 0.47
TP53 P04637 1/20 0.43
PLA2G2A P14555 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL9537134 0.88 KDM4E (0.58) KDM4EEDNRAMAPTHTTMEN1
SCHEMBL9540898 0.87 KDM4E (0.57) KDM4EEDNRAMAPTHTTMEN1
SCHEMBL10761647 0.83 KDM4E (0.64) KDM4EEDNRAMAPTHTTMEN1
SCHEMBL6456184 0.82 KDM4E (0.49) KDM4EEDNRAMAPTHTTMEN1
SCHEMBL9146455 0.81 MEN1 (0.58) KDM4EEDNRAMAPTHTTMEN1
SCHEMBL9535102 0.80 KDM4E (0.44) KDM4EEDNRAMAPTHTTMEN1
SCHEMBL10759304 0.79 KDM4E (0.59) KDM4EEDNRAMAPTHTTMEN1
SCHEMBL10758715 0.79 KDM4E (0.58) KDM4EEDNRAMAPTHTTMEN1
SCHEMBL9144495 0.78 KDM4E (0.58) KDM4EEDNRAMAPTHTTMEN1
SCHEMBL9536517 0.78 KDM4E (0.58) KDM4EEDNRAMAPTHTTMEN1

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
EP-0186367-B1 ACIDIC INDOLE COMPOUNDS AND THEIR USE AS ANTIALLERGY AGENTS WARNER-LAMBERT COMPANY (US) 1993-03-03 EP disclosed
US-4675332-A Acidic tetrazolyl substituted indole compounds and their use as antiallergy agents WARNER-LAMBERT COMPANY (US) 1987-06-23 US disclosed
EP-0186367-A2 Acidic indole compounds and their use as antiallergy agents WARNER-LAMBERT COMPANY (US) 1986-07-02 EP disclosed