SCHEMBL14620056

SCHEMBL14620056

CN1C(=O)C2=C(C3CC(c4ccccc4)CC(c4ccccc4)C3)OC(=O)C2=C1C1CC(c2ccccc2)CC(c2ccccc2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 4/20 0.37
▸ SRD5A1 P18405 1/20 0.35
▸ TSHR P16473 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ TRPA1 O75762 3/20 0.33
▸ KAT2B Q92831 2/20 0.32
▸ BRD9 Q9H8M2 2/20 0.32
▸ BRD1 O95696 1/20 0.32
▸ ACHE P22303 1/20 0.32
▸ BRPF1 P55201 1/20 0.32
▸ BPTF Q12830 1/20 0.32
▸ KAT2A Q92830 1/20 0.32
▸ BRD7 Q9NPI1 1/20 0.32
▸ BAZ2B Q9UIF8 1/20 0.32
▸ BRPF3 Q9ULD4 1/20 0.32
▸ GRIN2B Q13224 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ CTRB1 P17538 1/20 0.31
▸ LIPG Q9Y5X9 1/20 0.31

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
SCHEMBL14620059 0.85 BRD4 (0.45) BRD4SRD5A1TSHRKMT2AKAT2B
SCHEMBL14620259 0.81 GAA (0.42) BRD4SRD5A1TSHRKMT2AGRIN2B
SCHEMBL14620051 0.65 EPHX1 (0.35) TSHRKMT2A
SCHEMBL11661537 0.64 SLC18A3 (0.52) TSHRGAAMAPT
SCHEMBL2766491 0.64 SLC18A3 (0.52) TSHRGAAMAPT
SCHEMBL14959525 0.60 BRD4 (0.67) BRD4SRD5A1TSHRKMT2AGAA
Bicarbonate SCHEMBL7576375 0.60 AKR1C3 (0.57) GRIN2BGAAMAPT
SCHEMBL30514948 0.59 BRD4 (0.46) BRD4SRD5A1GRIN2BDRD2
SCHEMBL23082747 0.59 MEN1 (0.43) TSHRKMT2AGRIN2BGAAMAPT
SCHEMBL7641524 0.59 GAA (0.46) BRD4GRIN2BGAAMAPT

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-2007003520-A1 FLUORESCENT DIKETOPYRROLOPYRROLES AND DERIVATIVES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2007-01-11 — — WO disclosed
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