SCHEMBL8043208

SCHEMBL8043208

Clc1cnc(Sc2nnnn2-c2cccs2)s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.36
TP53 P04637 4/20 0.36
JAK2 O60674 1/20 0.36
TLR9 Q9NR96 1/20 0.36
ALDH1A1 P00352 13/20 0.36
HTT P42858 8/20 0.36
MAPT P10636 4/20 0.36
KMT2A Q03164 4/20 0.36
MAPK1 P28482 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 3/20 0.36
TSHR P16473 4/20 0.33
NPSR1 Q6W5P4 4/20 0.33
KDM4E B2RXH2 4/20 0.32
HPGD P15428 3/20 0.32
USP2 O75604 1/20 0.31
PKM P14618 2/20 0.31
ALOX12 P18054 1/20 0.31
PPP1CA P62136 1/20 0.31
MITF O75030 1/20 0.31

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
SCHEMBL8043315 0.81 ALDH1A1 (0.37) HSD17B10TP53ALDH1A1HTTMAPT
SCHEMBL8043646 0.81 ALDH1A1 (0.54) HSD17B10TP53ALDH1A1HTTMAPT
SCHEMBL8043586 0.80 NPC1 (0.46) TLR9ALDH1A1HTTMAPTKMT2A
SCHEMBL8042545 0.80 ALDH1A1 (0.36) HSD17B10TP53ALDH1A1HTTMAPT
SCHEMBL8047860 0.80 TP53 (0.38) HSD17B10TP53JAK2TLR9ALDH1A1
SCHEMBL8042320 0.80 L3MBTL1 (0.38) TP53ALDH1A1HTTKMT2AMAPK1
SCHEMBL8043807 0.79 HSD17B10 (0.36) HSD17B10TP53JAK2TLR9ALDH1A1
SCHEMBL8044132 0.79 TP53 (0.37) HSD17B10TP53JAK2TLR9ALDH1A1
SCHEMBL8034482 0.77 ALDH1A1 (0.36) HSD17B10TP53ALDH1A1HTTMAPT
SCHEMBL8042845 0.76 ALDH1A1 (0.42) HSD17B10TP53JAK2TLR9ALDH1A1

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