SCHEMBL8937617

SCHEMBL8937617

COn1cc(C(=O)O)cc1-c1cccs1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 7/20 0.41
ALDH1A1 P00352 5/20 0.41
MAPT P10636 4/20 0.41
HSD17B10 Q99714 3/20 0.41
CASP1 P29466 2/20 0.41
CASP7 P55210 2/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
POLB P06746 2/20 0.41
ALOX15 P16050 2/20 0.41
MAPK1 P28482 1/20 0.41
EGLN1 Q9GZT9 1/20 0.40
PIM1 P11309 1/20 0.40
PIM3 Q86V86 1/20 0.40
PLK3 Q9H4B4 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
PKM P14618 2/20 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
SCHEMBL8937581 0.79 KDM4E (0.44) KDM4EALDH1A1MAPTHSD17B10HPGD
SCHEMBL9018967 0.71 ALOX15 (0.43) SMN1; SMN2ALOX15EGLN1KMT2AMEN1
SCHEMBL8937621 0.70 KDM4E (0.47) SMN1; SMN2KDM4EALDH1A1MAPTALOX15
SCHEMBL8937712 0.67 MAOA (0.49) SMN1; SMN2KDM4EALDH1A1MAPTHSD17B10
SCHEMBL6091784 0.67 LMNA (0.58) KDM4EALDH1A1MAPTMAPK1KMT2A
SCHEMBL27972287 0.66 EGLN1 (0.49) KDM4EMAPTEGLN1SRPK1RPS6KB2
4-Methylbenzoic Acid SCHEMBL27184809 0.65 ALDH1A1 (0.63) SMN1; SMN2KDM4EALDH1A1MAPTHSD17B10
SCHEMBL570365 0.65 PIM1 (0.54) KDM4EALDH1A1MAPTHSD17B10CASP1
SCHEMBL420705 0.64 KDM4E (0.55) KDM4EALDH1A1MAPTHSD17B10POLB
SCHEMBL940399 0.64 KAT6A (0.57) KDM4EMAPTPOLBKMT2AMEN1

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