SCHEMBL2227787

SCHEMBL2227787

CN1CCCN(Cc2ccccc2C#N)CC1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.58
ALDH1A1 P00352 2/20 0.58
POLB P06746 2/20 0.58
CHKA P35790 7/20 0.54
TNKS O95271 1/20 0.49
PARP1 P09874 1/20 0.49
TNKS2 Q9H2K2 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CHRNA7 P36544 1/20 0.47
CA2 P00918 1/20 0.47
NCF1 P14598 1/20 0.47
PRMT6 Q96LA8 1/20 0.47
MC4R P32245 1/20 0.46
LMNA P02545 1/20 0.46

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
SCHEMBL2228476 0.94 MC4R (0.51) KDM4EALDH1A1POLBCHKATNKS
SCHEMBL20237949 0.89 CYP19A1 (0.50) KDM4EALDH1A1TNKSPARP1TNKS2
SCHEMBL2229998 0.86 ALDH1A1 (0.53) KDM4EALDH1A1POLBTNKSPARP1
SCHEMBL28024574 0.86 COMT (0.53) ALDH1A1TNKSPARP1TNKS2
SCHEMBL20804350 0.86 COMT (0.53) ALDH1A1TNKSPARP1TNKS2
SCHEMBL2229808 0.84 ALDH1A1 (0.56) KDM4EALDH1A1POLBTNKSPARP1
SCHEMBL519226 0.84 ALDH1A1 (0.56) KDM4EALDH1A1POLBTNKSPARP1
SCHEMBL20381979 0.81 KMT2A (0.60) ALDH1A1TNKSPARP1TNKS2CHRNA7
SCHEMBL20328137 0.81 COMT (0.48) ALDH1A1TNKSPARP1TNKS2
SCHEMBL16121610 0.81 CHKA (0.53) KDM4EALDH1A1POLBCHKATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9469710-B2 Polymers functionalized with nitrile compounds containing a protected amino group BRIDGESTONE CORPORATION (JP) 2016-10-18 US disclosed
US-20150148489-A1 POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP BRIDGESTONE CORPORATION (JP) 2015-05-28 US disclosed
US-20120296041-A1 POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP BRIDGESTONE CORPORATION (JP) 2012-11-22 US disclosed
WO-2011091346-A2 POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP BRIDGESTONE CORPORATION (JP) 2011-07-28 WO disclosed