SCHEMBL27501759

SCHEMBL27501759

COc1ccccc1CCn1ccnc1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.54
▸ KCNH2 Q12809 1/20 0.53
▸ CYP19A1 P11511 3/20 0.52
▸ TBXAS1 P24557 3/20 0.52
▸ HRH3 Q9Y5N1 1/20 0.51
▸ ALDH1A1 P00352 3/20 0.51
▸ MAPK1 P28482 2/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ PKM P14618 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ CYP11B1 P15538 1/20 0.49
▸ CYP11B2 P19099 1/20 0.49
▸ KDM4A O75164 1/20 0.48
▸ KDM4C Q9H3R0 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
SCHEMBL8336583 0.84 CYP19A1 (0.68) CYP19A1TBXAS1ALDH1A1MEN1KMT2A
SCHEMBL15179017 0.84 CYP19A1 (0.64) CYP19A1TBXAS1CYP11B1CYP11B2
SCHEMBL7868524 0.80 ALDH1A1 (0.53) CYP19A1ALDH1A1MAPK1HSD17B10MEN1
SCHEMBL6992090 0.80 CYP11B1 (0.71) CYP19A1TBXAS1ALDH1A1MAPK1ALOX15
SCHEMBL27311222 0.76 CYP19A1 (0.56) CYP19A1TBXAS1CYP11B1CYP11B2
SCHEMBL15173640 0.76 CYP19A1 (0.56) CYP19A1TBXAS1CYP11B1CYP11B2
SCHEMBL11607374 0.76 ALDH1A1 (0.57) CYP19A1TBXAS1ALDH1A1MAPK1ALOX15
SCHEMBL9414537 0.76 CYP19A1 (0.56) CYP19A1TBXAS1HRH3CYP11B1CYP11B2
SCHEMBL10999593 0.74 POLB (0.72) CYP19A1TBXAS1LMNAKMT2APKM
SCHEMBL30674929 0.74 CYP11B1 (0.58) CYP19A1TBXAS1ALDH1A1MAPK1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1033586-C Imidazo [2, 1-b ] [3] benzazepine derivatives and their use as anti-inflammatory agents JANSSEN PHARMACEUTICA NV (BE) 1996-12-18 — — CN disclosed
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