SCHEMBL9770973

SCHEMBL9770973

CC(C)Oc1cc(NC(=S)N2CCCC=N2)c(F)cc1Cl

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPOX P50336 2/20 0.36
RAB9A P51151 1/20 0.35
DUSP3 P51452 1/20 0.35
KMT2A Q03164 1/20 0.35
PTPN11 Q06124 1/20 0.35
MAPT P10636 2/20 0.35
ALDH1A1 P00352 3/20 0.34
HPGD P15428 2/20 0.33
DHODH Q02127 4/20 0.33
POLB P06746 2/20 0.32
HTR2C P28335 1/20 0.32
MAPK1 P28482 2/20 0.32
GAA P10253 1/20 0.31
RORC P51449 1/20 0.31

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
SCHEMBL9770931 0.77 MAPT (0.43) KMT2AMAPTALDH1A1HPGDMAPK1
SCHEMBL10882564 0.76 MAPT (0.38) PPOXRAB9ADUSP3KMT2APTPN11
SCHEMBL9770873 0.75 KMT2A (0.33) RAB9AKMT2AMAPTALDH1A1HPGD
SCHEMBL9770953 0.75 HPGD (0.36) RAB9AMAPTALDH1A1HPGDPOLB
SCHEMBL9770982 0.74 CCR1 (0.32) PPOX
SCHEMBL10876848 0.73 PPOX (0.41) PPOXKMT2AMAPTALDH1A1DHODH
SCHEMBL9127447 0.71 PPOX (0.38) PPOXRAB9ADUSP3KMT2APTPN11
SCHEMBL9836594 0.69 RORC (0.47) PPOXRAB9AKMT2AMAPTALDH1A1
SCHEMBL9770999 0.69 ALDH1A1 (0.31) KMT2AALDH1A1POLB
SCHEMBL10576407 0.68 RORC (0.46) PPOXRAB9AKMT2AMAPTDHODH

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
JP-2191261-A None JP disclosed
US-5039331-A Condensed heterocyclic derivatives and herbicides NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1991-08-13 US disclosed
JP-H02191261-A THIOSEMICARBAZONE DERIVATIVE, ITS PRODUCTION AND HERBICIDE NISSAN CHEM IND LTD 1990-07-27 JP disclosed
EP-0304920-A2 Condensed heterocyclic derivatives, process for their production and herbicides NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1989-03-01 EP disclosed