SCHEMBL8048077

SCHEMBL8048077

CCOC(=O)Cc1nnc(Sc2nc3ccccc3s2)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
KDM4E B2RXH2 3/20 0.51
GAA P10253 1/20 0.51
ALDH1A1 P00352 5/20 0.51
MAPK1 P28482 2/20 0.49
HSD17B10 Q99714 5/20 0.47
USP2 O75604 3/20 0.47
LMNA P02545 2/20 0.47
POLB P06746 2/20 0.47
RECQL P46063 2/20 0.47
ALOX12 P18054 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HPGD P15428 2/20 0.46
TP53 P04637 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46

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
SCHEMBL8043621 0.89 GLA (0.51) MAPTMEN1KMT2AKDM4EGAA
SCHEMBL8048634 0.84 MAPT (0.47) MAPTMEN1KMT2AKDM4EGAA
SCHEMBL8044486 0.83 SMN1; SMN2 (0.54) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL8044799 0.83 KMT2A (0.42) MAPTMEN1KMT2AKDM4EGAA
SCHEMBL8042947 0.82 ALDH1A1 (0.46) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL8042618 0.82 ALDH1A1 (0.50) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL8044615 0.81 PDK1 (0.51) MAPTMEN1KMT2AALDH1A1MAPK1
SCHEMBL8046503 0.80 HSD17B10 (0.55) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL29647831 0.80 MAPT (0.75) MAPTMEN1KMT2AKDM4EGAA
SCHEMBL3100413 0.80 MAPT (0.75) MAPTMEN1KMT2AKDM4EGAA

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