SCHEMBL6950307

SCHEMBL6950307

Cc1ccc(F)c2nc[nH]c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.41
PDPK1 O15530 3/20 0.38
CSNK2A1 P68400 3/20 0.36
CSNK2A2 P19784 2/20 0.36
MEN1 O00255 1/20 0.36
RAB9A P51151 1/20 0.36
CSNK2B P67870 1/20 0.36
KMT2A Q03164 1/20 0.36
DYRK1A Q13627 1/20 0.36
CSNK2A3 Q8NEV1 1/20 0.36
AR P10275 1/20 0.35
ABL1 P00519 1/20 0.33
RAD52 P43351 1/20 0.33
RIN1 Q13671 1/20 0.33
HSP90AB1 P08238 1/20 0.33
HSD17B10 Q99714 1/20 0.33
BRD4 O60885 2/20 0.32
CHEK1 O14757 1/20 0.32
ACP1 P24666 1/20 0.32
TGFBR1 P36897 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
SCHEMBL6950313 0.84 PARP1 (0.41) PARP1PDPK1CSNK2A1CSNK2A2MEN1
SCHEMBL4560164 0.83 PARP1 (0.46) PARP1PDPK1CSNK2A1CSNK2A2MEN1
SCHEMBL15800772 0.83 PARP1 (0.46) PARP1PDPK1CSNK2A1CSNK2A2MEN1
SCHEMBL6876629 0.78 PARP1 (0.42) PARP1PDPK1CSNK2A1CSNK2A2MEN1
SCHEMBL23227987 0.76 CSNK2A1 (0.41) PARP1CSNK2A1CSNK2A2MEN1RAB9A
SCHEMBL4612059 0.76 SLC6A2 (0.43) PARP1PDPK1CSNK2A1CSNK2A2MEN1
SCHEMBL6447653 0.76 CSNK2A1 (0.41) PARP1PDPK1CSNK2A1CSNK2A2MEN1
SCHEMBL18948981 0.71 BRD4 (0.46) PARP1PDPK1HSD17B10BRD4
SCHEMBL1355302 0.71 PDPK1 (0.38) PARP1PDPK1HSD17B10
SCHEMBL18224638 0.71 KDM5A (0.44) PARP1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0736022-B1 5-(2-IMIDAZOLINYLAMINO)BENZIMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ALPHA-2 ADRENOCEPTOR AGONISTS PROCTER & GAMBLE (US) 2003-09-24 EP disclosed
US-5691370-A 5-(2-imidazolinylamino)benzimidazole compounds useful as alpha-2-adrenoceptor agonists THE PROCTER & GAMBLE COMPANY (US) 1997-11-25 US disclosed
EP-0736022-A1 5-(2-IMIDAZOLINYLAMINO)BENZIMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ALPHA-2 ADRENOCEPTOR AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1996-10-09 EP disclosed
US-5541210-A ANALGESICS, ANTIINFLAMMATORY AGENTS, ANTIHISTAMINES OR COUGH MEDICINE THE PROCTER & GAMBLE COMPANY (US) 1996-07-30 US disclosed
US-5478858-A Respiratory system disorders, gastrointestinal disorders THE PROCTER & GAMBLE COMPANY (US) 1995-12-26 US disclosed
WO-1995016685-A1 5-(2-IMIDAZOLINYLAMINO)BENZIMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS ALPHA-2 ADRENOCEPTOR AGONISTS THE PROCTER & GAMBLE COMPANY (US) 1995-06-22 WO disclosed