SCHEMBL8649403

SCHEMBL8649403

O=C1c2ccccc2CS(=O)(=O)N1C(CCN1CCSCC1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTR Q99707 1/20 0.43
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CCR5 P51681 1/20 0.37
ALDH1A1 P00352 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
BCHE P06276 1/20 0.36
OPRL1 P41146 2/20 0.36
OPRM1 P35372 1/20 0.36
DRD2 P14416 3/20 0.34
DRD3 P35462 3/20 0.34
HTR1A P08908 1/20 0.33
DRD5 P21918 1/20 0.33
HTR7 P34969 2/20 0.33
HTR2A P28223 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
XIAP P98170 1/20 0.32

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
SCHEMBL8644064 0.93 MTR (0.38) MTRMEN1KMT2ACCR5ALDH1A1
SCHEMBL8643747 0.89 MTR (0.44) MTRMEN1KMT2ACCR5ALDH1A1
Fumaric Acid SCHEMBL8643277 0.81 ALDH1A1 (0.39) MTRMEN1KMT2ACCR5ALDH1A1
Fumaric Acid SCHEMBL8643287 0.81 ALDH1A1 (0.39) MTRMEN1KMT2ACCR5ALDH1A1
SCHEMBL8787526 0.79 ALDH1A1 (0.42) MEN1KMT2AALDH1A1DRD2DRD3
SCHEMBL8649409 0.76 MC4R (0.41) MEN1KMT2ANPC1RAB9ABCHE
Fumaric Acid SCHEMBL8788512 0.76 KMT2A (0.42) MEN1KMT2AALDH1A1DRD2DRD3
SCHEMBL8647091 0.74 CA9 (0.42) NPC1RAB9ADRD2DRD3HTR1A
SCHEMBL8644070 0.73 OPRL1 (0.33) MTRCCR5BCHEOPRL1OPRM1
SCHEMBL8651129 0.72 TDP1 (0.42) MTRKMT2ABCHEDRD2DRD3

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-5773437-A UROGENITAL DISORDERS SUCH AS DYSURIA NIPPON CHEMIPHAR CO., LTD. (JP) 1998-06-30 US disclosed
EP-0753514-A1 ALKYLENEDIAMINE DERIVATIVE NIPPON CHEMIPHAR CO., LTD. (JP) 1997-01-15 EP disclosed