SCHEMBL9205336

SCHEMBL9205336

c1ccc(COc2ccc3c(ccn3Cc3cccnc3)c2)nc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.46
CYP2D6 P10635 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
ALOX5AP P20292 3/20 0.42
GRM2 Q14416 1/20 0.42
ROCK1 Q13464 1/20 0.41
PTK2 Q05397 1/20 0.41
GRIN2B Q13224 1/20 0.41
PRKDC P78527 1/20 0.40
EGFR P00533 1/20 0.40
ERBB4 Q15303 1/20 0.40
KCNA5 P22460 1/20 0.40
BRD4 O60885 1/20 0.39
GUSB P08236 1/20 0.39
S1PR3 Q99500 1/20 0.39

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
SCHEMBL9205037 0.85 ALOX5AP (0.55) CYP1A2ALOX5AP
SCHEMBL9201867 0.84 ALOX5AP (0.47) CYP2D6CYP1A2CYP3A4CYP2C9ALOX5AP
SCHEMBL17067762 0.80 HTR5A (0.46) GRIN2BBRD4
SCHEMBL9194734 0.77 ROCK1 (0.54) KDM4CCYP3A4ROCK1
SCHEMBL3193186 0.76 MAPK14 (0.61) ROCK1
SCHEMBL9201884 0.74 PDE10A (0.50) CYP1A2ALOX5APKCNA5
SCHEMBL7809472 0.74 KMT2A (0.60) GRIN2BGUSB
SCHEMBL31661458 0.74 PLAU (0.50) KDM4CGRIN2BEGFRERBB4
SCHEMBL7084091 0.74 PLAU (0.50) KDM4CGRIN2BEGFRERBB4
SCHEMBL6840334 0.72 PLAU (0.49)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0544821-B1 INDOLE DERIVATIVES AS ANTIALLERGY AND ANTIINFLAMMATORY AGENTS PFIZER (US) 1995-01-11 EP claimed
EP-0544821-A1 INDOLE DERIVATIVES AS ANTIALLERGY AND ANTIINFLAMMATORY AGENTS. PFIZER (US) 1993-06-09 EP claimed
WO-1992006088-A1 INDOLE DERIVATIVES AS ANTIALLERGY AND ANTIINFLAMMATORY AGENTS PFIZER INC. (US) 1992-04-16 WO claimed
EP-0544821-B1 INDOLE DERIVATIVES AS ANTIALLERGY AND ANTIINFLAMMATORY AGENTS PFIZER (US) 1995-01-11 EP disclosed
US-5290788-A Indole derivatives as antiallergy and antiinflammatory agents PFIZER INC. (US) 1994-03-01 US disclosed
EP-0544821-A1 INDOLE DERIVATIVES AS ANTIALLERGY AND ANTIINFLAMMATORY AGENTS. PFIZER (US) 1993-06-09 EP disclosed
WO-1992006088-A1 INDOLE DERIVATIVES AS ANTIALLERGY AND ANTIINFLAMMATORY AGENTS PFIZER INC. (US) 1992-04-16 WO disclosed