SCHEMBL6139319

SCHEMBL6139319

N#CNC(=O)N1C=CC=CC1.N#CNC(=O)c1ccco1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KDR P35968 1/20 0.37
ALDH1A1 P00352 4/20 0.36
RAB9A P51151 2/20 0.36
HPGD P15428 1/20 0.36
PKM P14618 1/20 0.35
PTPN2 P17706 1/20 0.35
PTPN1 P18031 1/20 0.35
PTPN6 P29350 1/20 0.35
PTPN11 Q06124 1/20 0.35

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
SCHEMBL4628965 0.80
SCHEMBL4628727 0.79 MEN1 (0.58) MEN1KMT2ASMN1; SMN2LMNAPOLB
SCHEMBL11400111 0.68 MEN1 (0.50) MEN1KMT2ASMN1; SMN2LMNAPOLB
SCHEMBL3245075 0.65 ALDH1A1 (0.55) MEN1KMT2ASMN1; SMN2LMNAPOLB
SCHEMBL11169220 0.64 ALDH1A1 (0.53) MEN1KMT2ASMN1; SMN2LMNAPOLB
SCHEMBL2567185 0.61
SCHEMBL11590839 0.61
SCHEMBL11375598 0.61 ALDH1A1 (0.47) MEN1KMT2ALMNAPOLBALOX15
SCHEMBL8702006 0.61 CES2 (0.62) MEN1KMT2ASMN1; SMN2LMNAPOLB
SCHEMBL11360445 0.60 CTSL (0.64) MEN1KMT2ASMN1; SMN2LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1032556-A4 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE INC (US) 2005-02-02 EP disclosed
EP-1032556-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 2000-09-06 EP disclosed
WO-1999020599-A1 PHARMACEUTICALLY ACTIVE COMPOUNDS AND METHODS OF USE CAMBRIDGE NEUROSCIENCE, INC. (US) 1999-04-29 WO disclosed