SCHEMBL9464698

SCHEMBL9464698

c1ccc2c(c1)nnn2-n1cccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 8/20 0.50
MAPT P10636 2/20 0.50
CYP2D6 P10635 2/20 0.50
POLB P06746 1/20 0.50
MAPK1 P28482 1/20 0.50
ATM Q13315 1/20 0.50
DGAT1 O75907 1/20 0.50
KEAP1 Q14145 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
THPO P40225 1/20 0.50
CYP4Z1 Q86W10 1/20 0.50
GRM2 Q14416 1/20 0.43
RAB9A P51151 3/20 0.42
KCNMA1 Q12791 1/20 0.42
MGAM O43451 2/20 0.41
AMY1A P0DUB6 2/20 0.41
GAA P10253 2/20 0.41

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
SCHEMBL3072391 0.84 SLC9A1 (0.60) SLC9A1MAPTCYP2D6POLBMAPK1
SCHEMBL28735710 0.80 DGAT1 (0.43) SLC9A1MAPTCYP2D6POLBMAPK1
SCHEMBL11272158 0.75 SLC9A1 (0.50) SLC9A1MAPTCYP2D6POLBMAPK1
SCHEMBL20710852 0.75 SLC9A1 (0.50) SLC9A1MAPTCYP2D6POLBMAPK1
SCHEMBL9587958 0.73 DGAT1 (0.44) SLC9A1MAPTCYP2D6POLBMAPK1
SCHEMBL30518786 0.72 MAPK1 (0.49) SLC9A1MAPTCYP2D6POLBMAPK1
SCHEMBL13604183 0.72 SLC9A1 (0.52) SLC9A1MAPTCYP2D6POLBMAPK1
SCHEMBL7948539 0.71 SLC9A1 (0.56) SLC9A1MAPTCYP2D6POLBMAPK1
SCHEMBL16281766 0.71 SLC9A1 (0.55) SLC9A1MAPTCYP2D6POLBMAPK1
SCHEMBL1021711 0.71 DGAT1 (0.46) SLC9A1MAPTCYP2D6POLBMAPK1

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-2414432-B1 AMINE-TERMINATED TELECHELIC POLYMERS AND PRECURSORS THERETO AND METHODS FOR THEIR PREPARATION CHEVRON ORONITE CO (US) 2017-05-31 EP disclosed
US-5246914-A Fungicides and plant growth regulators BASF AKTIENGESELLSCHAFT (DE) 1993-09-21 US disclosed