SCHEMBL21614780

SCHEMBL21614780

C=C1CCCc2onc(C)c21

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.41
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
BRD2 P25440 1/20 0.33

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
SCHEMBL9024849 0.76 SMN1; SMN2 (0.42) BRD4CYP1A2CYP2C9
SCHEMBL21614781 0.76 BRD4 (0.35) BRD4CYP1A2BRD2
SCHEMBL15395900 0.76 BRD4 (0.38) BRD4BRD2
SCHEMBL3131565 0.72 SMN1; SMN2 (0.42) BRD4CYP1A2CYP2C9
SCHEMBL12094403 0.66 SMN1; SMN2 (0.41)
SCHEMBL21987985 0.65 BRD4 (0.54) BRD4
SCHEMBL3142696 0.63 KDM4E (0.34) BRD4CYP1A2CYP2C9
SCHEMBL18354798 0.58 CHRM5 (0.33)
SCHEMBL723744 0.57
SCHEMBL20690446 0.55 MAPT (0.44)

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-2020008317-A1 ACYLSUFONAMIDE COMPOUNDS USEFUL AS EP3 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2020-01-09 WO disclosed