SCHEMBL3811640

SCHEMBL3811640

O=C(O)Oc1sc(-c2ccccc2)cc1N(Cc1ccc([N+](=O)[O-])cc1)C(=O)CC1CCCC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
MAPK1 P28482 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.37
LMNA P02545 1/20 0.36
STAT3 P40763 1/20 0.36
CRHBP P24387 2/20 0.35
CRHR2 Q13324 2/20 0.35
CCR5 P51681 1/20 0.35
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL3814874 0.90 LTB4R2 (0.40) ALDH1A1SMN1; SMN2LTB4R2LMNAMAPT
SCHEMBL3812570 0.88 LTB4R2 (0.39) SMN1; SMN2LTB4R2RAB9A
SCHEMBL2157703 0.87 LTB4R2 (0.41) ALDH1A1SMN1; SMN2KMT2AMEN1LTB4R2
SCHEMBL3815496 0.87 MEN1 (0.43) ALDH1A1SMN1; SMN2KMT2AMEN1MAPK1
SCHEMBL3809784 0.86 MEN1 (0.44) ALDH1A1SMN1; SMN2KMT2AMEN1MAPK1
SCHEMBL3811085 0.86 NR1H4 (0.41) KMT2AMEN1LTB4R2RAB9A
SCHEMBL3809448 0.85 LTB4R2 (0.38) KMT2AMEN1LTB4R2CCR5
SCHEMBL3812096 0.84 NR1H4 (0.43) ALDH1A1KMT2AMEN1LTB4R2RAB9A
SCHEMBL3815444 0.84 MEN1 (0.40) ALDH1A1SMN1; SMN2KMT2AMEN1LTB4R2
SCHEMBL3807301 0.80 GSTO1 (0.35) ALDH1A1SMN1; SMN2KMT2AMEN1LMNA

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
EP-1401825-B1 THIOPHENE DERIVATIVES AS ANTIVIRAL AGENTS FOR FLAVIVIRUS INFECTION VIROCHEM PHARMA INC (CA) 2009-08-05 EP claimed