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Sugi Predict / Compounds / SCHEMBL17033495

SCHEMBL17033495

SCHEMBL17033495

c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccn5)cc4)nc(-n4c5ccccc5c5ccc6c(nc7c8ccccc8c8ccccc8n67)c54)n3)cc2)nc1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 1/20 0.35
▸ NPY5R Q15761 1/20 0.33
▸ MCL1 Q07820 5/20 0.33
▸ METAP2 P50579 2/20 0.32
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ CYP19A1 P11511 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30
▸ RET P07949 1/20 0.30

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
SCHEMBL17033517 0.92 MCL1 (0.32) DHODHNPY5RMCL1METAP2CYP1A2
SCHEMBL17033539 0.89 MAPT (0.32) DHODH
SCHEMBL17033705 0.89 KDM4E (0.33) —
SCHEMBL17033535 0.88 L3MBTL1 (0.38) CYP19A1
SCHEMBL17033694 0.87 MCL1 (0.33) NPY5RMCL1METAP2RET
SCHEMBL17033750 0.85 DHODH (0.38) DHODHNPY5RMCL1METAP2CYP1A2
SCHEMBL16066159 0.84 DHODH (0.41) DHODHMCL1CYP1A2CYP2C9CYP2C19
SCHEMBL17033695 0.84 HTR1A (0.38) NPY5RMCL1METAP2RET
SCHEMBL17033721 0.83 POLB (0.32) —
SCHEMBL16066784 0.83 DHODH (0.38) DHODHNPY5RMCL1CYP1A2CYP2D6

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
WO-2015125986-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-08-27 — — WO disclosed