SCHEMBL8795672

SCHEMBL8795672

OCC1CC(O)C(n2c(NC3CC3)nc3cc(Cl)c(Cl)cc32)C1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.40
CCNT1 O60563 2/20 0.36
CDK9 P50750 2/20 0.36
SOS1 Q07889 1/20 0.33
PTGES O14684 2/20 0.32
IRAK4 Q9NWZ3 1/20 0.32
SLC2A1 P11166 1/20 0.32
PRPS1 P60891 1/20 0.31
ATM Q13315 1/20 0.31
MTHFD2 P13995 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
SCHEMBL8795674 1.00 HDAC6 (0.40) HDAC6CCNT1CDK9SOS1PTGES
SCHEMBL8658612 0.82 HDAC6 (0.42) HDAC6CCNT1CDK9SOS1IRAK4
SCHEMBL8797075 0.82 HDAC6 (0.42) HDAC6CCNT1CDK9SOS1IRAK4
SCHEMBL8658611 0.82 HDAC6 (0.42) HDAC6CCNT1CDK9SOS1IRAK4
SCHEMBL7608598 0.81 CCNT1 (0.46) HDAC6CCNT1CDK9SOS1IRAK4
SCHEMBL7608607 0.81 CCNT1 (0.46) HDAC6CCNT1CDK9SOS1IRAK4
SCHEMBL7608602 0.81 CCNT1 (0.46) HDAC6CCNT1CDK9SOS1IRAK4
SCHEMBL9063656 0.80 CCNT1 (0.36) HDAC6CCNT1CDK9PRPS1
SCHEMBL9063653 0.80 CCNT1 (0.36) HDAC6CCNT1CDK9PRPS1
SCHEMBL7608609 0.79 CCNT1 (0.41) HDAC6CCNT1CDK9SOS1IRAK4

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-0779885-A1 ANTIVIRAL NUCLEOSIDE ANALOGUES CONTAINING A SUBSTITUTED BENZIMIDAZOLE BASE ATTACHED TO A CARBOCYCLIC RING THE WELLCOME FOUNDATION LIMITED (GB) 1997-06-25 EP claimed
WO-1996007646-A1 ANTIVIRAL NUCLEOSIDE ANALOGUES CONTAINING A SUBSTITUTED BENZIMIDAZOLE BASE ATTACHED TO A CARBOCYCLIC RING THE WELLCOME FOUNDATION LIMITED (GB) 1996-03-14 WO claimed
US-5534535-A ANTIVIRAL ANALOGS WITH SUBSTITUTED BENZIMIDAZOLE BASE BURROUGHS WELLCOME CO. (US) 1996-07-09 US disclosed