SCHEMBL5570739

SCHEMBL5570739

O=C(NS(=O)(=O)Cc1ccccc1)N1CCNCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.55
POLB P06746 1/20 0.52
HRH1 P35367 1/20 0.47
CCR3 P51677 1/20 0.47
SIGMAR1 Q99720 2/20 0.46
STS P08842 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
MMP1 P03956 1/20 0.46
MMP2 P08253 1/20 0.46
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
MMP13 P45452 1/20 0.46
P2RY12 Q9H244 1/20 0.44
RAB9A P51151 1/20 0.44
ITGB3 P05106 1/20 0.43
ITGA2B P08514 1/20 0.43
P4HTM Q9NXG6 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL19390293 0.80 KMT2A (0.51) KMT2APOLBSIGMAR1CA1CA2
SCHEMBL30965769 0.78 POLB (0.56) POLBHRH1CCR3SIGMAR1STS
SCHEMBL26681559 0.77 ALDH1A1 (0.56) KMT2ASIGMAR1CA1CA2MMP1
SCHEMBL8678905 0.76 KMT2A (0.52) KMT2ASIGMAR1CA1CA2MMP1
SCHEMBL4584366 0.76 KDM4E (0.64) KMT2APOLBLMNATPSAB1
SCHEMBL1967952 0.74 STS (0.58) KMT2ASTSCA1CA2MMP1
SCHEMBL4974210 0.74 TPSAB1 (0.55) KMT2APOLBSIGMAR1CA2RAB9A
SCHEMBL7412108 0.74 POLB (0.55) KMT2APOLBSIGMAR1CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL4875114 0.73 STS (0.57) KMT2ASTSCA1CA2MMP1
SCHEMBL29793208 0.73 DCTPP1 (0.48) KMT2AP4HTM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7262197-B2 Phospholipase C inhibitors for use in treating inflammatory disorders JANSSEN PHARMACEUTICA, N.V (BE) 2007-08-28 US disclosed