SCHEMBL9840967

SCHEMBL9840967

CCCCCCCCCCCCNCC(N)CCN

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.50
ERAP2 Q6P179 1/20 0.50
RRM1 P23921 1/20 0.49
DPP7 Q9UHL4 1/20 0.46
ALDH1A1 P00352 2/20 0.44
TSHR P16473 2/20 0.44
GNAI3 P08754 1/20 0.42
GNAO1 P09471 1/20 0.42
GNAI1 P63096 1/20 0.42
DNM1 Q05193 4/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
EPHX1 P07099 1/20 0.39
RELA Q04206 4/20 0.39
SIRT6 Q8N6T7 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
SPHK1 Q9NYA1 1/20 0.38

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
SCHEMBL31212776 1.00 ANPEP (0.50) ANPEPERAP2RRM1DPP7ALDH1A1
SCHEMBL1459388 1.00 ANPEP (0.50) ANPEPERAP2RRM1DPP7ALDH1A1
SCHEMBL30512648 0.92 TSHR (0.41) ANPEPERAP2RRM1DPP7ALDH1A1
SCHEMBL7208317 0.89 GNAI3 (0.51) ANPEPERAP2RRM1ALDH1A1TSHR
SCHEMBL7206054 0.89 GNAI3 (0.51) ANPEPERAP2RRM1ALDH1A1TSHR
SCHEMBL16431373 0.89 CA12 (0.41) ANPEPERAP2RRM1DPP7ALDH1A1
SCHEMBL11801411 0.88 ANPEP (0.53) ANPEPERAP2RRM1ALDH1A1TSHR
SCHEMBL11791450 0.88 ANPEP (0.53) ANPEPERAP2RRM1ALDH1A1TSHR
SCHEMBL7081815 0.86 PLA2G1B (0.46) ANPEPERAP2RRM1GNAI3GNAO1
SCHEMBL10998568 0.86 PLA2G1B (0.46) ANPEPERAP2RRM1GNAI3GNAO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5063249-A Bactericide, cattle MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1991-11-05 US disclosed