SCHEMBL8698707

SCHEMBL8698707

CCCCNC(=S)Nc1nn(CCC)cc1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.44
KDM4E B2RXH2 2/20 0.44
HCAR2 Q8TDS4 1/20 0.41
ALPL P05186 1/20 0.41
SMN1; SMN2 Q16637 6/20 0.40
HPGD P15428 2/20 0.40
LMNA P02545 5/20 0.39
ALDH1A1 P00352 3/20 0.39
HTT P42858 4/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
CYP2C9 P11712 1/20 0.38
SIGMAR1 Q99720 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
MEN1 O00255 2/20 0.37
PABPC1 P11940 1/20 0.37

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
SCHEMBL8693069 0.95 KDM4E (0.41) GAAKDM4EHCAR2ALPLSMN1; SMN2
SCHEMBL8693969 0.95 HCAR2 (0.46) GAAKDM4EHCAR2ALPLSMN1; SMN2
SCHEMBL8694003 0.93 KMT2A (0.41) GAAKDM4EHCAR2SMN1; SMN2LMNA
SCHEMBL8693176 0.91 GAA (0.42) GAAKDM4EHCAR2ALPLSMN1; SMN2
SCHEMBL8696838 0.91 HCAR2 (0.44) GAAKDM4EHCAR2ALPLSMN1; SMN2
SCHEMBL8698706 0.90 HCAR2 (0.46) GAAKDM4EHCAR2ALPLSMN1; SMN2
SCHEMBL8693610 0.88 HCAR2 (0.43) KDM4EHCAR2SMN1; SMN2HPGDALDH1A1
SCHEMBL8694654 0.87 KDM4E (0.39) GAAKDM4EHCAR2SMN1; SMN2HPGD
SCHEMBL8693986 0.86 ALDH1A1 (0.43) GAAKDM4EALPLSMN1; SMN2HPGD
SCHEMBL8692678 0.85 HTT (0.46) GAAKDM4EHCAR2SMN1; SMN2HPGD

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-5849779-A Pyrazole derivatives and their pharmaceutical use JAPAN ENERGY CORPORATION (JP) 1998-12-15 US disclosed
EP-0810217-A1 Pyrazole derivatives and their pharmaceutical use as smooth muscle cell growth inhibitors JAPAN ENERGY CORPORATION (JP) 1997-12-03 EP disclosed