SCHEMBL8794075

SCHEMBL8794075

CC1C[C@H](n2c(NC3CC3)nc3cc(Cl)c(Cl)cc32)C(O)C1O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 2/20 0.40
CDK9 P50750 2/20 0.40
HDAC6 Q9UBN7 1/20 0.39
SOS1 Q07889 1/20 0.32
MTHFD2 P13995 1/20 0.32
PDE4B Q07343 2/20 0.31
CHRM3 P20309 1/20 0.31
PDE4A P27815 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
SLC2A1 P11166 1/20 0.31
IDH1 O75874 1/20 0.31
HCAR1 Q9BXC0 1/20 0.31
MAPK14 Q16539 1/20 0.30
PTPN1 P18031 1/20 0.30
PDE7A Q13946 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL8794070 1.00 CCNT1 (0.40) CCNT1CDK9HDAC6SOS1MTHFD2
SCHEMBL8658612 0.84 HDAC6 (0.42) CCNT1CDK9HDAC6SOS1IRAK4
SCHEMBL8658611 0.84 HDAC6 (0.42) CCNT1CDK9HDAC6SOS1IRAK4
SCHEMBL8797075 0.84 HDAC6 (0.42) CCNT1CDK9HDAC6SOS1IRAK4
SCHEMBL7608610 0.81 CCNT1 (0.41) CCNT1CDK9HDAC6SOS1MTHFD2
SCHEMBL7608609 0.81 CCNT1 (0.41) CCNT1CDK9HDAC6SOS1MTHFD2
SCHEMBL7608598 0.81 CCNT1 (0.46) CCNT1CDK9HDAC6SOS1IRAK4
SCHEMBL7608607 0.81 CCNT1 (0.46) CCNT1CDK9HDAC6SOS1IRAK4
SCHEMBL7608602 0.81 CCNT1 (0.46) CCNT1CDK9HDAC6SOS1IRAK4
SCHEMBL9062639 0.80 HDAC6 (0.43) CCNT1CDK9HDAC6SOS1IRAK4

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 5 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
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 disclosed
US-5534535-A ANTIVIRAL ANALOGS WITH SUBSTITUTED BENZIMIDAZOLE BASE BURROUGHS WELLCOME CO. (US) 1996-07-09 US disclosed
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 disclosed