SCHEMBL19452304

SCHEMBL19452304

Cc1ccccc1C1=CC2c3ccccc3C=CN2C=C1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.35
▸ CCL2 P13500 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ ATM Q13315 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
SCHEMBL18645092 0.78 BRD4 (0.34) BRD4CCL2
SCHEMBL4958554 0.71 BRD4 (0.37) BRD4CCL2ATM
SCHEMBL11348748 0.70 BRD4 (0.41) BRD4CCL2KDM4ELMNAATM
SCHEMBL20506900 0.68 ATM (0.38) BRD4CCL2KDM4EALDH1A1MEN1
SCHEMBL230905 0.67 BRD4 (0.36) BRD4CCL2ATM
SCHEMBL20506906 0.67 ATM (0.40) BRD4CCL2KDM4EALDH1A1MEN1
SCHEMBL17234511 0.67 BRD4 (0.34) BRD4CCL2ATM
SCHEMBL418352 0.66 BRD4 (0.38) BRD4CCL2KDM4ELMNAMEN1
SCHEMBL17284105 0.64 BRD4 (0.36) BRD4CCL2ATM
SCHEMBL27286085 0.63 BRD4 (0.45) BRD4CCL2ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3131879-B1 MULTI-COMPONENT HOST MATERIAL AND AN ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE SAME ROHM & HAAS ELECT MATERIALS KOREA LTD (KR) 2023-09-13 — — EP disclosed
WO-2017191896-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2017-11-09 — — WO disclosed
WO-2017175986-A1 ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2017-10-12 — — WO disclosed
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