SCHEMBL9536074

SCHEMBL9536074

COc1ccc2c(c1)c(SC(C)C)c(C(=O)Nc1nnn[nH]1)n2-c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
MAPT P10636 2/20 0.42
HTT P42858 1/20 0.42
EDNRA P25101 4/20 0.40
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPK8 P45983 5/20 0.36
VCP P55072 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
AKR1C3 P42330 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 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
SCHEMBL9535102 0.90 KDM4E (0.44) KDM4EMAPTHTTEDNRAALDH1A1
SCHEMBL9536999 0.89 KDM4E (0.43) KDM4EMAPTHTTEDNRAALDH1A1
SCHEMBL9535154 0.85 PLA2G2A (0.46) EDNRA
SCHEMBL9536287 0.85 KDM4E (0.47) KDM4EMAPTHTTEDNRAALDH1A1
SCHEMBL6438548 0.85 KDM4E (0.43) KDM4EMAPTHTTEDNRAALDH1A1
SCHEMBL9535836 0.83 MEN1 (0.44) KDM4EMAPTHTTEDNRAALDH1A1
SCHEMBL10760702 0.82 MEN1 (0.43) KDM4EMAPTHTTEDNRAALDH1A1
SCHEMBL10760718 0.82 MEN1 (0.43) KDM4EMAPTHTTEDNRAALDH1A1
SCHEMBL9534719 0.82 KDM4E (0.44) KDM4EMAPTHTTEDNRAALDH1A1
SCHEMBL9537498 0.82 KDM4E (0.44) KDM4EMAPTHTTEDNRAALDH1A1

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 5 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 claimed
EP-0186367-A2 Acidic indole compounds and their use as antiallergy agents WARNER-LAMBERT COMPANY (US) 1986-07-02 EP claimed
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