SCHEMBL24592256

SCHEMBL24592256

O=C(O)COCCCCOc1ccc(C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 16/20 0.69
AR P10275 3/20 0.69
KCNH2 Q12809 2/20 0.69
CCL2 P13500 1/20 0.47
TAF1 P21675 1/20 0.47
BRD2 P25440 1/20 0.47
BRD3 Q15059 1/20 0.47
BRDT Q58F21 1/20 0.47
TAF1L Q8IZX4 1/20 0.47
CREBBP Q92793 1/20 0.47
BRD9 Q9H8M2 1/20 0.47
HTT P42858 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL2264831 0.92 BRD4 (0.69) BRD4ARKCNH2CCL2TAF1
SCHEMBL3074460 0.91 BRD4 (0.71) BRD4ARKCNH2CCL2TAF1
SCHEMBL24592188 0.89 BRD4 (0.67) BRD4ARKCNH2CCL2TAF1
SCHEMBL747249 0.87 BRD4 (0.70) BRD4ARKCNH2CCL2TAF1
SCHEMBL749053 0.86 BRD4 (0.71) BRD4ARKCNH2CCL2TAF1
SCHEMBL24592116 0.86 BRD4 (0.62) BRD4ARKCNH2CCL2TAF1
SCHEMBL3067439 0.86 AR (0.70) BRD4ARKCNH2CCL2TAF1
SCHEMBL3079586 0.85 BRD4 (0.70) BRD4ARKCNH2CCL2TAF1
SCHEMBL749450 0.85 AR (0.71) BRD4ARKCNH2CCL2TAF1
SCHEMBL2271027 0.84 BRD4 (0.69) BRD4ARKCNH2CCL2TAF1

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-4023649-A1 ANDROGEN RECEPTOR BINDING BIFUNCTIONAL MOLECULES Industrial Technology Research Institute (TW) 2022-07-06 EP disclosed