SCHEMBL9536147

SCHEMBL9536147

CCCCCCCCCn1c(C(=O)Nc2nnn[nH]2)c(OC)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.44
KDM4E B2RXH2 2/20 0.43
MAPK1 P28482 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
XBP1 P17861 3/20 0.43
ALDH1A1 P00352 2/20 0.43
NOD1 Q9Y239 2/20 0.43
MITF O75030 2/20 0.43
NPC1 O15118 1/20 0.43
TNF P01375 1/20 0.43
NOD2 Q9HC29 1/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 2/20 0.42
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42
APH1B Q8WW43 1/20 0.42
NCSTN Q92542 1/20 0.42
APH1A Q96BI3 1/20 0.42
PSENEN Q9NZ42 1/20 0.42
KMT2A Q03164 2/20 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
SCHEMBL9537569 1.00 HTT (0.44) HTTKDM4EMAPK1NPSR1XBP1
SCHEMBL9536370 0.83 CCR2 (0.50) KDM4EMAPK1ALDH1A1MITFLMNA
SCHEMBL9535977 0.83 ALDH1A1 (0.40) HTTKDM4ENPSR1ALDH1A1NPC1
SCHEMBL9535963 0.80 LMNA (0.40) HTTKDM4ELMNA
SCHEMBL10758013 0.77 CCR2 (0.55) KDM4EMAPK1NPSR1PSEN1PSEN2
SCHEMBL10762568 0.77 CCR2 (0.55) KDM4EMAPK1NPSR1PSEN1PSEN2
SCHEMBL9536349 0.74 ALDH1A1 (0.60) HTTKDM4EMAPK1NPSR1ALDH1A1
SCHEMBL9538405 0.74 ALDH1A1 (0.60) HTTKDM4EMAPK1NPSR1ALDH1A1
SCHEMBL9537135 0.73 KDM4E (0.41) HTTKDM4ENPSR1ALDH1A1KMT2A
SCHEMBL9536287 0.71 KDM4E (0.47) HTTKDM4EALDH1A1KMT2AMEN1

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
US-4675332-A Acidic tetrazolyl substituted indole compounds and their use as antiallergy agents WARNER-LAMBERT COMPANY (US) 1987-06-23 US claimed
EP-0186367-A2 Acidic indole compounds and their use as antiallergy agents WARNER-LAMBERT COMPANY (US) 1986-07-02 EP claimed
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