SCHEMBL8050246

SCHEMBL8050246

Clc1cnc(Sc2nnnn2C2CCCCC2)s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 15/20 0.46
LMNA P02545 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
NPY1R P25929 1/20 0.46
NPY2R P49146 1/20 0.46
L3MBTL1 Q9Y468 5/20 0.43
TSHR P16473 4/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALOX15 P16050 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 2/20 0.41
RECQL P46063 1/20 0.41
MAPK1 P28482 1/20 0.38
HTT P42858 3/20 0.38

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
SCHEMBL8043960 0.81 L3MBTL1 (0.51) ALDH1A1LMNASMN1; SMN2TDP1L3MBTL1
SCHEMBL8044116 0.80 MEN1 (0.43) ALDH1A1LMNASMN1; SMN2TDP1NPY1R
SCHEMBL8045231 0.80 MAPK8 (0.45) ALDH1A1LMNASMN1; SMN2TDP1L3MBTL1
SCHEMBL8042825 0.76 ALDH1A1 (0.49) ALDH1A1LMNASMN1; SMN2TDP1NPY1R
SCHEMBL8051001 0.73 ALDH1A1 (0.46) ALDH1A1LMNASMN1; SMN2TDP1L3MBTL1
SCHEMBL8042627 0.73 ALDH1A1 (0.42) ALDH1A1LMNASMN1; SMN2TDP1NPY1R
SCHEMBL8046719 0.73 ALDH1A1 (0.46) ALDH1A1LMNASMN1; SMN2TDP1NPY1R
SCHEMBL8043605 0.73 MEN1 (0.45) ALDH1A1LMNASMN1; SMN2TDP1NPY1R
SCHEMBL8033848 0.72 TXN (0.50) ALDH1A1LMNASMN1; SMN2TDP1L3MBTL1
SCHEMBL8044734 0.72 ALDH1A1 (0.49) ALDH1A1LMNASMN1; SMN2TDP1NPY1R

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-6080772-A 2-AMINOTHIAZOLE TRIAZOLE OR TETRAZOLE COMPOUND FOR REGULATING PROTEIN TYROSINE PHOSPHATASE ACTIVITY SUGEN, INC. (US) 2000-06-27 US disclosed