SCHEMBL7903005

SCHEMBL7903005

Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=NC2CC(=O)O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 14/20 0.75
BRD2 P25440 3/20 0.62
BRD3 Q15059 3/20 0.62
HDAC1 Q13547 7/20 0.59
HDAC2 Q92769 7/20 0.59
SMCHD1 A6NHR9 1/20 0.59
MYO1G B0I1T2 1/20 0.59
AIP O00170 1/20 0.59
AP3B1 O00203 1/20 0.59
PSMD11 O00231 1/20 0.59
CDC7 O00311 1/20 0.59
SAP18 O00422 1/20 0.59
KPNA3 O00505 1/20 0.59
PPP6C O00743 1/20 0.59
TCERG1 O14776 1/20 0.59
UBE2L6 O14933 1/20 0.59
PPP1R12A O14974 1/20 0.59
U2SURP O15042 1/20 0.59
SETD1A O15047 1/20 0.59
ARPC1B O15143 1/20 0.59

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
SCHEMBL9998756 0.93 BRD4 (0.77) BRD4BRD2BRD3HDAC1HDAC2
SCHEMBL26258706 0.89 BRD4 (0.79) BRD4BRD2BRD3HDAC1HDAC2
SCHEMBL25269620 0.89 BRD4 (0.73) BRD4BRD2BRD3HDAC1HDAC2
SCHEMBL29379698 0.89 BRD4 (0.73) BRD4BRD2BRD3HDAC1HDAC2
SCHEMBL7895743 0.89 BRD4 (0.60) BRD4BRD2BRD3HDAC1HDAC2
SCHEMBL9998870 0.88 BRD4 (0.78) BRD4BRD2BRD3HDAC1HDAC2
SCHEMBL9998786 0.86 BRD4 (0.75) BRD4BRD2BRD3HDAC1HDAC2
SCHEMBL26258864 0.86 BRD4 (0.67) BRD4BRD2BRD3HDAC1HDAC2
SCHEMBL14799181 0.86 BRD4 (0.74) BRD4BRD2BRD3HDAC1HDAC2
SCHEMBL17451427 0.85 BRD4 (1.00) BRD4BRD2BRD3HDAC1HDAC2

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-1085870-A2 MULTIVALENT AGONISTS, PARTIAL AGONISTS AND ANTAGONISTS OF THE GABA RECEPTORS Advanced Medicine, Inc. (US) 2001-03-28 EP disclosed
WO-1999063933-A9 MULTIVALENT AGONISTS, PARTIAL AGONISTS AND ANTAGONISTS OF THE GABA RECEPTORS ADVANCED MEDICINE INC (US) 2000-04-27 WO disclosed
WO-1999063933-A2 MULTIVALENT AGONISTS, PARTIAL AGONISTS AND ANTAGONISTS OF THE GABA RECEPTORS ADVANCED MEDICINE, INC. (US) 1999-12-16 WO disclosed