SCHEMBL18941925

SCHEMBL18941925

NNCCN1CCN(N)CC1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.44
GNAI3 P08754 1/20 0.43
GNAO1 P09471 1/20 0.43
GNAI1 P63096 1/20 0.43
ALOX15 P16050 1/20 0.38
CARM1 Q86X55 2/20 0.36
PRMT6 Q96LA8 2/20 0.36
PRMT8 Q9NR22 2/20 0.36
PRMT1 Q99873 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
SCHEMBL10764316 0.80 ACE2 (0.44) ACE2ALOX15CARM1PRMT6PRMT8
SCHEMBL10187342 0.79
SCHEMBL20551362 0.78 ACE2 (0.43) ACE2GNAI3GNAO1GNAI1ALOX15
SCHEMBL10501491 0.77 CARM1 (0.54) ACE2CARM1PRMT6PRMT8
SCHEMBL14500286 0.73 HSD17B10 (0.53) ACE2ALOX15CARM1PRMT6PRMT8
SCHEMBL696834 0.73 KEAP1 (0.52)
SCHEMBL22286063 0.72 CYP2C19 (0.39) ACE2
Hydrochloric Acid SCHEMBL165528 0.71 KEAP1 (0.50)
SCHEMBL13494978 0.70 ALOX15 (0.77) ACE2GNAI3GNAO1GNAI1ALOX15
SCHEMBL17610281 0.70 SIGMAR1 (0.37) ACE2CARM1PRMT6PRMT8

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-2953457-B1 ERK INHIBITORS AND USES THEREOF CELGENE CAR LLC (BM) 2020-04-08 EP disclosed
EP-3039083-B1 DYE MIXTURES OF METAL-FREE REACTIVE DYES, PRODUCTION AND USE DYSTAR COLOURS DISTRIB GMBH (DE) 2017-06-07 EP disclosed