SCHEMBL8049804

SCHEMBL8049804

O=C(O)Cn1nnc(Sc2nc(-c3ccc(Cl)cc3)cs2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
MEN1 O00255 4/20 0.43
KDM4E B2RXH2 1/20 0.43
PTGES O14684 1/20 0.42
LMNA P02545 6/20 0.42
MAPT P10636 5/20 0.42
MAPK1 P28482 2/20 0.42
POLB P06746 1/20 0.41
ABL1 P00519 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
ALDH1A1 P00352 3/20 0.40

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
SCHEMBL8047618 0.89 RAB9A (0.46) KMT2ASMN1; SMN2NPC1RAB9AMEN1
SCHEMBL8048046 0.84 MAPT (0.47) KMT2ASMN1; SMN2NPC1RAB9AMEN1
SCHEMBL8051792 0.82 AR (0.43) KMT2ASMN1; SMN2NPC1RAB9AKDM4E
SCHEMBL8044982 0.81 MAPT (0.44) KMT2ASMN1; SMN2NPC1RAB9AMEN1
SCHEMBL8044036 0.80 KMT2A (0.44) KMT2ASMN1; SMN2NPC1RAB9AMEN1
SCHEMBL8046628 0.80 AR (0.40) KMT2ASMN1; SMN2NPC1RAB9AMEN1
SCHEMBL8042402 0.79 ALDH1A1 (0.40) KMT2ASMN1; SMN2NPC1RAB9AMEN1
SCHEMBL8044338 0.79 POLB (0.44) KMT2ASMN1; SMN2NPC1RAB9AMEN1
SCHEMBL8048213 0.79 XPO1 (0.40) KMT2AMEN1KDM4ELMNAMAPT
SCHEMBL8042878 0.78 HSD17B10 (0.42) KMT2ASMN1; SMN2NPC1RAB9AMEN1

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