SCHEMBL9510544

SCHEMBL9510544

Cc1cc(C(F)(F)F)n2nc(NS(=O)(=O)c3ccccc3Cl)nc2n1.Cc1ccnc2nc(NS(=O)(=O)c3ccccc3Cl)nn12

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.48
LMNA P02545 3/20 0.45
PDE2A O00408 1/20 0.43
SYK P43405 1/20 0.42
PTGDR2 Q9Y5Y4 2/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
TSHR P16473 2/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MCL1 Q07820 1/20 0.39
POLB P06746 2/20 0.39
HTT P42858 1/20 0.38
GLA P06280 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 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
SCHEMBL8358748 0.92 GAA (0.53) GAALMNAPDE2ASYKPTGDR2
SCHEMBL8355169 0.87 GAA (0.52) GAALMNAPTGDR2ALDH1A1HTT
SCHEMBL10732824 0.73 GAA (0.50) GAALMNAPTGDR2ALDH1A1KDM4E
SCHEMBL10665580 0.73 TSHR (0.47) PDE2AALDH1A1TSHRHSD17B10HTT
SCHEMBL8356883 0.73 SMN1; SMN2 (0.50) GAAALDH1A1KDM4ETSHRHPGD
SCHEMBL8376128 0.72 ALDH1A1 (0.53) GAALMNAALDH1A1KDM4ETSHR
SCHEMBL10664738 0.71 TSHR (0.45) PDE2AALDH1A1TSHRHTT
SCHEMBL10663534 0.70 TSHR (0.45) PDE2AALDH1A1KDM4ETSHRHTT
SCHEMBL10659758 0.69 TSHR (0.44) PDE2AALDH1A1TSHRHPGDHTT
SCHEMBL10664379 0.69 TSHR (0.44) PDE2AALDH1A1KDM4ETSHRHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0565593-A1 REDUCING PESTICIDAL INTERACTIONS IN CROPS MONSANTO COMPANY (US) 1993-10-20 EP claimed
EP-0562015-A1 SAFENED HERBICIDAL SULFONAMIDE COMPOSITIONS MONSANTO COMPANY (US) 1993-09-29 EP claimed
WO-1992011761-A1 REDUCING PESTICIDAL INTERACTIONS IN CROPS MONSANTO COMPANY (US) 1992-07-23 WO claimed
EP-0565593-A1 REDUCING PESTICIDAL INTERACTIONS IN CROPS MONSANTO COMPANY (US) 1993-10-20 EP disclosed
WO-1992011761-A1 REDUCING PESTICIDAL INTERACTIONS IN CROPS MONSANTO COMPANY (US) 1992-07-23 WO disclosed
WO-1992010098-A1 SAFENED HERBICIDAL SULFONAMIDE COMPOSITIONS MONSANTO COMPANY (US) 1992-06-25 WO disclosed