SCHEMBL9724130

SCHEMBL9724130

Clc1ccccc1Sc1cccs1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 2/20 0.54
FBP1 P09467 2/20 0.46
LMNA P02545 3/20 0.45
KDM4E B2RXH2 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
LDHA P00338 2/20 0.42
LDHB P07195 2/20 0.42
HAO1 Q9UJM8 1/20 0.40
RHEB Q15382 1/20 0.39
HPGD P15428 1/20 0.37
PKM P14618 1/20 0.35
DHFR P00374 1/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
KMT2A Q03164 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
PRMT3 O60678 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
SCHEMBL29199082 0.79 PDE7A (0.61) PDE7AFBP1KDM4EL3MBTL1ALDH1A1
SCHEMBL8308899 0.77 PDE7A (0.58) PDE7AFBP1KDM4ENPSR1ALDH1A1
SCHEMBL29543966 0.75 RHEB (0.55) FBP1LMNAKDM4ENPSR1L3MBTL1
SCHEMBL6915666 0.75 RHEB (0.55) FBP1LMNAKDM4ENPSR1L3MBTL1
SCHEMBL2432241 0.75 FBP1 (0.68) PDE7AFBP1LMNAKDM4EL3MBTL1
SCHEMBL30548744 0.73 RHEB (0.53) FBP1LMNAKDM4ENPSR1L3MBTL1
SCHEMBL9018798 0.72 HAO1 (0.44) FBP1ALDH1A1MAPTHAO1DHFR
SCHEMBL9203553 0.72 FBP1 (0.42) PDE7AFBP1LMNANPSR1ALDH1A1
SCHEMBL28530136 0.72 FBP1 (0.42) PDE7AFBP1
SCHEMBL1466222 0.72 FBP1 (0.42) PDE7AFBP1LMNAALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5158971-A Antiallergens, antiinflammatory agents LILLY INDUSTRIES LIMITED (GB) 1992-10-27 US disclosed
EP-0459748-A2 Thien-2-yl methylurea derivatives as leukotriene inhibitors LILLY INDUSTRIES LIMITED (GB) 1991-12-04 EP disclosed