SCHEMBL9721982

SCHEMBL9721982

Cc1oc(-c2ccccc2)nc1COc1cccc(N)c1

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDR P35968 1/20 0.71
FFAR1 O14842 1/20 0.56
KDM1A O60341 1/20 0.53
MAPT P10636 3/20 0.53
PPARG P37231 7/20 0.52
PPARA Q07869 7/20 0.52
MAOB P27338 1/20 0.50
TP53 P04637 2/20 0.49
CYP2C9 P11712 1/20 0.48
KCNH2 Q12809 1/20 0.48
POLB P06746 1/20 0.48

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
SCHEMBL9721956 0.89 KDR (0.57) KDRFFAR1KDM1AMAPTPPARG
SCHEMBL5802990 0.86 KDR (0.72) KDRFFAR1MAPTPPARGPPARA
SCHEMBL3528719 0.86 KDR (0.76) KDRFFAR1MAPTPPARGPPARA
SCHEMBL10372016 0.86 FFAR1 (0.65) KDRFFAR1MAPTPPARGPPARA
SCHEMBL4743991 0.85 KDR (0.71) KDRFFAR1MAPTPPARGPPARA
SCHEMBL6160505 0.84 KDR (0.77) KDRFFAR1MAPTPPARGPPARA
SCHEMBL6248263 0.84 KDR (0.63) KDRFFAR1MAPTPPARGPPARA
SCHEMBL4033640 0.83 KDR (0.79) KDRFFAR1MAPTPPARGPPARA
SCHEMBL4034790 0.83 KDR (1.00) KDRFFAR1MAPTPPARGPPARA
SCHEMBL6157414 0.82 KDR (0.67) KDRFFAR1MAPTPPARGPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0310370-A1 2-aryl substituted heterocyclic compounds as antiallgeric and anti-inflammatory agents AMERICAN HOME PRODUCTS CORPORATION (US) 1989-04-05 EP claimed
US-5103014-A Antiinflammatory or/and antiallergic agent AMERICAN HOME PRODUCTS CORPORATION (US) 1992-04-07 US disclosed
US-4942236-A ANTIASTHMATICS AMERICAN HOME PRODUCTS CORPORATION (US) 1990-07-17 US disclosed
US-4895953-A 2-Aryl substituted heterocyclic compounds as antiallergic and antiinflammatory agents AMERICAN HOME PRODUCTS CORPORATION (US) 1990-01-23 US disclosed
US-4826990-A LIPOXYGENASE INHIBITORS AMERICAN HOME PRODUCTS CORPORATION (US) 1989-05-02 US disclosed
EP-0310370-A1 2-aryl substituted heterocyclic compounds as antiallgeric and anti-inflammatory agents AMERICAN HOME PRODUCTS CORPORATION (US) 1989-04-05 EP disclosed