SCHEMBL17804305

SCHEMBL17804305

CC1(C)c2ccccc2N(c2ccc(C3=CC(c4ccccc4)NC(c4ccccc4)=C3)cc2)c2ccccc21

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ CACNA1D Q01668 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
SCHEMBL19007734 0.79 PDK2 (0.32) —
SCHEMBL19007524 0.77 PDK2 (0.31) —
SCHEMBL16864140 0.76 ALDH1A1 (0.40) ALDH1A1HPGDRXFP1CACNA1D
SCHEMBL13827557 0.75 FAAH (0.44) ALDH1A1
SCHEMBL21351236 0.75 ALDH1A1 (0.34) ALDH1A1HPGDRXFP1CACNA1D
SCHEMBL13231563 0.72 KMT2A (0.41) ALDH1A1
SCHEMBL13557651 0.72 FAAH (0.39) —
SCHEMBL14595502 0.72 FAAH (0.41) —
SCHEMBL18960789 0.71 HPGD (0.38) ALDH1A1HPGDRXFP1CACNA1D
SCHEMBL13231537 0.71 KMT2A (0.44) ALDH1A1

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
EP-3029033-A1 COMPOUND, LIGHT-EMITTING MATERIAL, AND ORGANIC LIGHT-EMITTING DEVICE Kyushu University, National University Corporation (JP) 2016-06-08 — — EP disclosed
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