SCHEMBL18403202

SCHEMBL18403202

Oc1cccc2c3c(ccc12)NCC3

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.53
PARP1 P09874 3/20 0.45
NOTUM Q6P988 1/20 0.42
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
CYP1A2 P05177 3/20 0.37
HPGD P15428 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 2/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
RAB9A P51151 1/20 0.37
BLM P54132 1/20 0.37
PARP15 Q460N3 1/20 0.37
IDO1 P14902 1/20 0.37
MEN1 O00255 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 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
SCHEMBL18403322 0.90 PNMT (0.50) PNMTPARP1DRD2DRD4CYP1A2
SCHEMBL5357007 0.80 HTT (0.41) PNMTPARP1NOTUMDRD2DRD4
SCHEMBL30537817 0.79 PARP1 (0.56) PNMTPARP1NOTUMDRD2DRD4
SCHEMBL93672 0.79 PARP1 (0.56) PNMTPARP1NOTUMDRD2DRD4
Hydrochloric Acid SCHEMBL15322401 0.77 PARP1 (0.55) PNMTPARP1NOTUMDRD2DRD4
SCHEMBL28554649 0.76 NOTUM (0.43) PNMTNOTUMDRD2CYP1A2HPGD
SCHEMBL5754293 0.76 PNMT (0.55) PNMTPARP1NOTUMHTT
SCHEMBL29269316 0.75 HPRT1 (0.50) PARP1NOTUMCYP1A2HPGDKDM4E
SCHEMBL15801195 0.75 PNMT (0.45) PNMTPARP1DRD2CYP1A2HPGD
SCHEMBL9608382 0.72 PNMT (0.43) PNMTPARP1CYP1A2HPGDKDM4E

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-9551029-B2 Methods and kits using extended rhodamine dyes APPLIED BIOSYSTEMS, LLC (US) 2017-01-24 US disclosed