SCHEMBL22113764

SCHEMBL22113764

c1ccc(-c2nc(-c3ccc(-c4cccnc4)cc3)cc(-c3cccc(-c4cccc(-c5ccc6c7ccccc7n(-c7ccccc7)c6c5)c4)c3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 1/20 0.44
▸ CYP19A1 P11511 2/20 0.41
▸ KMO O15229 1/20 0.39
▸ MAPT P10636 3/20 0.39
▸ CYP17A1 P05093 1/20 0.39
▸ CYP11B1 P15538 1/20 0.39
▸ CYP11B2 P19099 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ ATM Q13315 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ GLA P06280 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ GRM5 P41594 1/20 0.38
▸ METAP2 P50579 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37

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
SCHEMBL19397486 1.00 DHODH (0.44) DHODHCYP19A1KMOMAPTCYP17A1
SCHEMBL21945897 0.97 DHODH (0.42) DHODHCYP19A1MAPTKDM4EATM
SCHEMBL19397425 0.97 DHODH (0.42) DHODHCYP19A1MAPTKDM4EATM
SCHEMBL17853520 0.97 DHODH (0.46) DHODHCYP19A1MAPTCYP17A1CYP11B1
SCHEMBL19397371 0.97 DHODH (0.46) DHODHCYP19A1MAPTCYP17A1CYP11B1
SCHEMBL19397588 0.96 DHODH (0.44) DHODHCYP19A1MAPTCYP17A1CYP11B1
SCHEMBL19397309 0.93 CYP19A1 (0.45) DHODHCYP19A1MAPTCYP17A1CYP11B1
SCHEMBL17853490 0.93 DHODH (0.45) DHODHCYP19A1KMOMAPTCYP17A1
SCHEMBL24752202 0.93 DHODH (0.39) DHODHCYP19A1KMOMAPTCYP17A1
SCHEMBL19397533 0.93 CYP19A1 (0.45) DHODHCYP19A1MAPTCYP17A1CYP11B1

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
US-20200194706-A1 ORGANIC ELECTROLUMINESCENT DEVICE DOOSAN SOLUS CO., LTD. (KR) 2020-06-18 — — US disclosed
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