SCHEMBL9136704

SCHEMBL9136704

N=C(N)CS(=O)(=O)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 8/20 0.53
POLB P06746 2/20 0.52
ALDH1A1 P00352 2/20 0.50
TP53 P04637 2/20 0.50
HTT P42858 1/20 0.50
HSD17B10 Q99714 1/20 0.50
PSIP1 O75475 1/20 0.50
MMP2 P08253 2/20 0.48
MMP7 P09237 2/20 0.48
MMP14 P50281 2/20 0.48
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
S1PR2 O95136 1/20 0.47
LMNA P02545 1/20 0.47
PRNP P04156 1/20 0.47
MAPT P10636 1/20 0.47
XBP1 P17861 1/20 0.47
MAPK1 P28482 1/20 0.47
RAB9A P51151 1/20 0.47

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
Guanidine SCHEMBL2279843 0.84 MMP2 (0.65) HSD11B1POLBMMP2MMP7MMP14
SCHEMBL2805655 0.81 ALDH1A1 (0.66) HSD11B1POLBALDH1A1TP53HTT
SCHEMBL5467897 0.79 HSD11B1 (0.53) HSD11B1POLBALDH1A1TP53HTT
Hydrochloric Acid SCHEMBL19066539 0.79 ALDH1A1 (0.63) HSD11B1POLBALDH1A1TP53HTT
SCHEMBL27577204 0.79 HSD11B1 (0.49) HSD11B1POLBALDH1A1TP53HTT
SCHEMBL7427351 0.78 POLB (0.59) HSD11B1POLBALDH1A1TP53HTT
SCHEMBL2279847 0.77 HSD11B1 (0.47) HSD11B1POLBALDH1A1MMP2MMP7
SCHEMBL6129032 0.77 HSD11B1 (0.60) HSD11B1POLBALDH1A1TP53HTT
SCHEMBL6428540 0.76 POLB (0.68) HSD11B1POLBALDH1A1TP53HTT
SCHEMBL6550260 0.76 POLB (0.68) HSD11B1POLBALDH1A1TP53HTT

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-5472967-A Angiotensin II antagonists SYNTHELABO (FR) 1995-12-05 US disclosed
EP-0500409-A1 4-Pyrimidinone derivatives, their preparation and their application in therapy SYNTHELABO (FR) 1992-08-26 EP disclosed