SCHEMBL13333897

SCHEMBL13333897

CC1(C)c2ccccc2-c2ccc(-c3c4ccc(N(c5ccccc5)c5ccc6ccccc6c5)cc4c(-c4ccc5ccccc5c4)c4ccc(N(c5ccccc5)c5ccccc5)cc34)cc21

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ SOS1 Q07889 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ PDK2 Q15119 1/20 0.31
▸ SLC6A2 P23975 1/20 0.30
▸ SLC6A4 P31645 1/20 0.30
▸ SLC6A3 Q01959 1/20 0.30
▸ HDAC4 P56524 1/20 0.30
▸ HDAC2 Q92769 1/20 0.30
▸ HDAC8 Q9BY41 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
SCHEMBL12014689 0.99 PDK2 (0.31) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL14330788 0.99 PDK2 (0.31) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL15002775 0.98 PDK2 (0.33) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL15002733 0.98 PDK2 (0.33) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL13333573 0.97 PDK2 (0.32) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL13333478 0.97 PDK2 (0.32) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL12337348 0.97 PDK2 (0.33) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL15002731 0.97 PDK2 (0.33) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL12014681 0.97 PDK2 (0.33) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL15002931 0.96 CYP1A2 (0.31) CYP1A2CYP2D6CYP2C9TSHRCYP2C19

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-2194110-A1 Electroluminescent device using electroluminescent compounds Gracel Display Inc. (KR) 2010-06-09 — — EP disclosed
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