SCHEMBL8803702

SCHEMBL8803702

Sc1nc(C=Cc2ccccc2)cs1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
KDM4E B2RXH2 6/20 0.46
ALDH1A1 P00352 4/20 0.46
HPGD P15428 4/20 0.46
GRM4 Q14833 8/20 0.44
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
PKM P14618 2/20 0.44
GRM5 P41594 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL8803696 1.00 MEN1 (0.48) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL8802327 0.78 MAPT (0.54) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL8802331 0.78 MAPT (0.54) KDM4EALDH1A1HPGDRAB9ANPC1
SCHEMBL7239055 0.78 GRM4 (0.53) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL6312461 0.78 GRM5 (0.69) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL7239050 0.78 GRM4 (0.53) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL6312457 0.78 GRM5 (0.69) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL9455009 0.74 KDM4E (0.44) MEN1KMT2AKDM4EALDH1A1HPGD
SCHEMBL9455002 0.74 KDM4E (0.44) MEN1KMT2AKDM4EALDH1A1HPGD
Hydrochloric Acid SCHEMBL7230078 0.73 PIM1 (0.48) MEN1KMT2AKDM4EALDH1A1HPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1143962-A Triazole compound and processes for preparation thereof YUHAN CORP (KR) 1997-02-26 CN disclosed
EP-0751943-A1 TRIAZOLE COMPOUNDS AND PROCESSES FOR THE PREPARATION THEREOF Yuhan Corporation (KR) 1997-01-08 EP disclosed
WO-1995025107-A1 TRIAZOLE COMPOUNDS AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 1995-09-21 WO disclosed