SCHEMBL8043773

SCHEMBL8043773

Clc1ccc(-c2csc(Sc3nnc(-c4ccccc4)s3)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
RAB9A P51151 4/20 0.47
KDM4E B2RXH2 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LMNA P02545 1/20 0.47
ALOX5 P09917 1/20 0.46
CYP19A1 P11511 2/20 0.45
NPC1 O15118 1/20 0.45
PLAU P00749 1/20 0.44
CYP1A1 P04798 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP1B1 Q16678 1/20 0.44
MGAM O43451 1/20 0.44
GAA P10253 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
NOTUM Q6P988 1/20 0.44
SREBF2 Q12772 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL8050637 0.92 HDAC6 (0.49) KMT2AMEN1RAB9AKDM4ESMN1; SMN2
SCHEMBL8043471 0.88 KDM4E (0.41) KMT2AMEN1RAB9AKDM4ESMN1; SMN2
SCHEMBL8044404 0.82 ATM (0.44) KMT2AMEN1RAB9AKDM4ESMN1; SMN2
SCHEMBL8042056 0.81 FBP1 (0.51) KMT2AMEN1RAB9AKDM4ESMN1; SMN2
SCHEMBL8041816 0.80 RAB9A (0.47) KMT2AMEN1RAB9AKDM4ESMN1; SMN2
SCHEMBL8052850 0.78 KMT2A (0.43) KMT2AMEN1RAB9AKDM4EALOX5
SCHEMBL8033022 0.77 ALDH1A1 (0.54) KMT2AMEN1RAB9AKDM4ESMN1; SMN2
SCHEMBL4281217 0.77 RAB9A (0.75) KMT2AMEN1RAB9AKDM4ESMN1; SMN2
SCHEMBL11455457 0.77 RAB9A (0.75) KMT2AMEN1RAB9AKDM4ESMN1; SMN2
SCHEMBL8032807 0.76 MEN1 (0.45) KMT2AMEN1RAB9AKDM4ESMN1; SMN2

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