SCHEMBL18239387

SCHEMBL18239387

C=C(C)N1CCCC(C(=O)c2cccnc2)C1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 1/20 0.58
RXFP1 Q9HBX9 1/20 0.58
ALDH1A1 P00352 6/20 0.53
HTT P42858 3/20 0.53
KDM4E B2RXH2 3/20 0.53
ATM Q13315 1/20 0.48
PKM P14618 1/20 0.48
MAPK1 P28482 2/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPT P10636 2/20 0.47
RAB9A P51151 1/20 0.46
SLC18A3 Q16572 1/20 0.46
LMNA P02545 2/20 0.45
GAA P10253 1/20 0.45

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
SCHEMBL18228368 0.90 KLK7 (0.60) KLK7RXFP1ALDH1A1HTTKDM4E
SCHEMBL15646173 0.86 KLK7 (0.58) KLK7RXFP1ALDH1A1HTTKDM4E
SCHEMBL21926498 0.84 KLK7 (0.64) KLK7RXFP1ALDH1A1HTTKDM4E
SCHEMBL12049726 0.82 KLK7 (0.56) KLK7RXFP1ALDH1A1HTTKDM4E
SCHEMBL16460192 0.81 KLK7 (0.56) KLK7RXFP1ALDH1A1HTTKDM4E
SCHEMBL28187822 0.80 ATM (0.57) KLK7RXFP1ALDH1A1HTTKDM4E
SCHEMBL12026432 0.79 KDM2B (0.54) KLK7RXFP1ALDH1A1HTTKDM4E
SCHEMBL18228159 0.79 CHRNB2 (0.49) KLK7RXFP1ALDH1A1KDM4EMAPK1
SCHEMBL5046019 0.78 SLC18A3 (0.54) KLK7RXFP1ALDH1A1KDM4EMEN1
SCHEMBL9668119 0.78 SLC18A3 (0.54) KLK7RXFP1ALDH1A1KDM4EMEN1

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
WO-2016180536-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2016-11-17 WO disclosed