SCHEMBL3815592

SCHEMBL3815592

Cc1ccc(C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2cc(-c3ccccc3)sc2OC(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
ALDH1A1 P00352 4/20 0.41
MAPT P10636 3/20 0.39
PDK2 Q15119 1/20 0.39
PDK4 Q16654 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL3807325 0.90 NPC1 (0.47) KMT2AMEN1NPC1RAB9A
SCHEMBL2158675 0.87 CRHBP (0.47) CRHBPCRHR2KMT2AMEN1L3MBTL1
SCHEMBL3809793 0.87 NPC1 (0.41) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL3809784 0.85 MEN1 (0.44) CRHBPCRHR2KMT2AMEN1L3MBTL1
SCHEMBL3815496 0.83 MEN1 (0.43) CRHBPCRHR2KMT2AMEN1ALDH1A1
SCHEMBL3815444 0.83 MEN1 (0.40) CRHBPCRHR2KMT2AMEN1ALDH1A1
SCHEMBL3815779 0.82 PTGES (0.41) KMT2ACYP2C9NPC1RAB9A
SCHEMBL3811495 0.82 MAPT (0.38) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL3809833 0.81 PTGES (0.56) KMT2AMEN1NPC1RAB9A
SCHEMBL2878959 0.81 TSHR (0.40) KMT2AMEN1ALDH1A1MAPTNPC1

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