SCHEMBL1460194

SCHEMBL1460194

CCCCCCCCNCC(N)CN

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.53
ERAP2 Q6P179 1/20 0.53
ALDH1A1 P00352 1/20 0.48
TSHR P16473 1/20 0.48
EPHX1 P07099 2/20 0.40
ADH1B P00325 1/20 0.40
ADH1C P00326 1/20 0.40
ADH1A P07327 1/20 0.40
ADH4 P08319 1/20 0.40
ADH7 P40394 1/20 0.40
RRM1 P23921 1/20 0.40
RELA Q04206 4/20 0.38
GNAI3 P08754 1/20 0.38
GNAO1 P09471 1/20 0.38
GNAI1 P63096 1/20 0.38
S1PR2 O95136 5/20 0.37
S1PR4 O95977 5/20 0.37
S1PR1 P21453 5/20 0.37
S1PR3 Q99500 5/20 0.37
S1PR5 Q9H228 1/20 0.37

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
SCHEMBL16431139 0.88 TSHR (0.42) ANPEPERAP2ALDH1A1TSHRADH1B
SCHEMBL2911872 0.88 TSHR (0.42) ANPEPERAP2ALDH1A1TSHR
SCHEMBL1459388 0.84 ANPEP (0.50) ANPEPERAP2ALDH1A1TSHREPHX1
SCHEMBL9840967 0.84 ANPEP (0.50) ANPEPERAP2ALDH1A1TSHREPHX1
SCHEMBL31212776 0.84 ANPEP (0.50) ANPEPERAP2ALDH1A1TSHREPHX1
SCHEMBL11791450 0.83 ANPEP (0.53) ANPEPERAP2ALDH1A1TSHREPHX1
SCHEMBL11801411 0.83 ANPEP (0.53) ANPEPERAP2ALDH1A1TSHREPHX1
SCHEMBL11826637 0.82 ALDH1A1 (0.52) ANPEPERAP2ALDH1A1TSHREPHX1
SCHEMBL10798482 0.82 ANPEP (0.56) ANPEPERAP2ALDH1A1TSHREPHX1
SCHEMBL28667034 0.82 ALDH1A1 (0.52) ANPEPERAP2ALDH1A1TSHREPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2475534-A1 COMPOSITIONS AND METHODS FOR PRODUCING POLY-AMINOFUNCTIONALIZED POLYMERIZATION INITIATORS AND CORRESPONDING POLYMERS Bridgestone Corporation (JP) 2012-07-18 EP disclosed
WO-2011031943-A1 COMPOSITIONS AND METHODS FOR PRODUCING POLY-AMINOFUNCTIONALIZED POLYMERIZATION INITIATORS AND CORRESPONDING POLYMERS BRIDGESTONE CORPORATION (JP) 2011-03-17 WO disclosed