SCHEMBL8937778

SCHEMBL8937778

COn1c(Br)c(C(=O)O)c(Br)c1-c1cccs1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.38
MEN1 O00255 5/20 0.38
KDM4E B2RXH2 8/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PTPN1 P18031 1/20 0.36
PPARG P37231 2/20 0.36
PRNP P04156 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
ALDH1A1 P00352 3/20 0.36
NPC1 O15118 2/20 0.36
GAA P10253 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
MAPT P10636 4/20 0.35
THRB P10828 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
ERCC1 P07992 1/20 0.34

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
SCHEMBL8937746 0.75 KDM4E (0.41) KMT2AMEN1KDM4EALDH1A1NPC1
SCHEMBL9019088 0.72 KMT2A (0.43) KMT2AMEN1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL8937646 0.70 MAOA (0.39) KMT2AKDM4ESMN1; SMN2ALDH1A1NPC1
SCHEMBL8937621 0.68 KDM4E (0.47) KMT2AMEN1KDM4ESMN1; SMN2PTPN1
SCHEMBL7489462 0.64 EGFR (0.52) KMT2AMEN1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL8937584 0.63 KDM4E (0.48) KMT2AMEN1KDM4ESMN1; SMN2PTPN1
SCHEMBL8937712 0.62 MAOA (0.49) KMT2AMEN1KDM4ESMN1; SMN2PTPN1
SCHEMBL8937617 0.61 SMN1; SMN2 (0.41) KMT2AMEN1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL3756657 0.61 PTPN1 (0.50) KMT2AMEN1KDM4EPTPN1ALDH1A1
SCHEMBL4488653 0.60 ERCC1 (0.38) KMT2AMEN1KDM4EALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5563166-A Thienyl- and furylpyrrole fungicidal agents AMERICAN CYANAMID CO. (US) 1996-10-08 US disclosed
US-5492925-A PROTECTING PLANTS AMERICAN CYANAMID COMPANY (US) 1996-02-20 US disclosed
US-5480902-A Thienylpyrrole fungicidal agents AMERICAN CYANAMID COMPANY (US) 1996-01-02 US disclosed
EP-0641794-A1 Thienyl- and furylpyrrole derivatives, their preparation and their use as insecticides and acaricides AMERICAN CYANAMID COMPANY (US) 1995-03-08 EP disclosed