SCHEMBL27562010

SCHEMBL27562010

Cc1ccc(NC(=O)N=S(=O)=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.55
POLB P06746 2/20 0.53
NPC1 O15118 5/20 0.52
RAB9A P51151 4/20 0.52
KIF11 P52732 1/20 0.48
TGM2 P21980 1/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
RECQL P46063 1/20 0.46
NMT1 P30419 1/20 0.46
DDAH1 O94760 1/20 0.44

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
SCHEMBL11656339 0.81 TDP1 (0.61) TDP1POLBNPC1RAB9AKIF11
SCHEMBL8660127 0.81 TDP1 (0.61) TDP1POLBNPC1RAB9AKIF11
SCHEMBL28184733 0.81 PTGS2 (0.50) TDP1POLBNPC1RAB9AKIF11
SCHEMBL27757237 0.80 CA12 (0.43)
Benzene SCHEMBL6243713 0.79 EPHX2 (0.54) POLBNPC1RAB9ATGM2MAPT
SCHEMBL1729493 0.79 EPHX2 (0.54) POLBNPC1RAB9ATGM2MAPT
P-Xylene SCHEMBL28085495 0.78 KDM4E (0.46) TDP1POLBNPC1RAB9AKIF11
SCHEMBL11182821 0.76 TDP1 (0.55) TDP1POLBNPC1RAB9AKIF11
SCHEMBL28044354 0.74 TDP1 (0.53) TDP1POLBNPC1RAB9AKIF11
Chlorobenzene SCHEMBL9486505 0.74 ALDH1A1 (0.49) NPC1RAB9AKDM4EMAPTSMN1; SMN2

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
CN-1406110-A Enhancement of seed/fruit/nut yield from flowering plants UNIROYAL CHEM CO INC (US) 2003-03-26 CN claimed
CN-1406110-A Enhancement of seed/fruit/nut yield from flowering plants UNIROYAL CHEM CO INC (US) 2003-03-26 CN disclosed