SCHEMBL11559459

SCHEMBL11559459

C=CCc1cc(C(=O)O)cc2c(=O)cc(-c3cccnc3)oc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 4/20 0.47
▸ CYP1B1 Q16678 4/20 0.47
▸ CYP1A2 P05177 4/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ PRKDC P78527 1/20 0.47
▸ KMO O15229 1/20 0.43
▸ AURKA O14965 1/20 0.41
▸ DAPK3 O43293 1/20 0.41
▸ MAP4K4 O95819 1/20 0.41
▸ RET P07949 1/20 0.41
▸ IGF1R P08069 1/20 0.41
▸ MET P08581 1/20 0.41
▸ PIM1 P11309 1/20 0.41
▸ LTK P29376 1/20 0.41
▸ KDR P35968 1/20 0.41
▸ MAPK8 P45983 1/20 0.41
▸ MAPK9 P45984 1/20 0.41
▸ CDK8 P49336 1/20 0.41
▸ CLK2 P49760 1/20 0.41

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
SCHEMBL11558696 0.84 CYP1A1 (0.49) CYP1A1CYP1B1CYP1A2KDM4EKMT2A
SCHEMBL11564062 0.82 PDE4B (0.38) CYP1A1CYP1B1CYP1A2KDM4EAURKA
SCHEMBL11559463 0.80 CYP1A2 (0.47) CYP1A1CYP1B1CYP1A2KDM4EAURKA
SCHEMBL11565251 0.77 TNKS (0.55) CYP1A1CYP1B1CYP1A2KDM4EKMT2A
SCHEMBL11565093 0.74 TNKS (0.55) CYP1A1CYP1B1CYP1A2KDM4EKMT2A
SCHEMBL11563071 0.71 ALDH1A1 (0.39) CYP1A1CYP1B1CYP1A2KDM4EAURKA
SCHEMBL910340 0.68 CYP1A1 (0.54) CYP1A1CYP1B1CYP1A2KDM4EKMT2A
SCHEMBL909679 0.67 CYP1A1 (0.59) CYP1A1CYP1B1CYP1A2KDM4EKMT2A
SCHEMBL12556193 0.67 TERT (0.71) CYP1A1CYP1B1CYP1A2KDM4EKMT2A
SCHEMBL11558265 0.67 CYP1A1 (0.36) CYP1A1CYP1B1CYP1A2KDM4EKMT2A

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
US-4148900-A ANTIALLERGIC CARLO ERBA S.P.A. (IT) 1979-04-10 — — US claimed
US-4148900-A ANTIALLERGIC CARLO ERBA S.P.A. (IT) 1979-04-10 — — US disclosed
US-4115567-A TREATMENT OF ALLERGIES CARLO ERBA S. P. A. (IT) 1978-09-19 — — US disclosed
US-4083953-A ANTIALLERGENS CARLO ERBA, S.P.A. (IT) 1978-04-11 — — US disclosed
US-4065467-A ANTIALLERGENS, ANTIULCER AGENTS, TREATMENT OF RESPIRATORY SYSTEM AND PULMONARY DISORDERS CARLO ERBA, S. P. A. (IT) 1977-12-27 — — US disclosed
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