SCHEMBL5229364

SCHEMBL5229364

O=C(O)c1cc2c(s1)c(C1CCCCC1)c(-c1ccccc1)n2CCN1CCCC1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
FABP4 P15090 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
OPRM1 P35372 2/20 0.37
OPRD1 P41143 2/20 0.37
OPRK1 P41145 2/20 0.37
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
Trifluoroacetic Acid SCHEMBL2992079 0.94 MEN1 (0.36) MEN1CYP3A4CYP2D6CYP2C19KMT2A
SCHEMBL2996610 0.92 OPRK1 (0.40) MEN1CYP3A4CYP2D6CYP2C19KMT2A
SCHEMBL13211483 0.85 FABP4 (0.38) HPGDFABP4KDM4E
SCHEMBL27642142 0.85 FABP4 (0.35) FABP4
SCHEMBL13211498 0.85 POLB (0.39) MEN1KMT2AFABP4KDM4ESMN1; SMN2
SCHEMBL13211487 0.85 ALDH1A1 (0.39) CYP3A4HPGDFABP4KDM4E
SCHEMBL2998608 0.85 CNR1 (0.37) MEN1KMT2AFABP4KDM4E
SCHEMBL13211491 0.84 TBXAS1 (0.46) KDM4ESMN1; SMN2
SCHEMBL13211509 0.84 FABP4 (0.34) MEN1KMT2AHPGDFABP4OPRM1
SCHEMBL427108 0.83 EGFR (0.45) KMT2AKDM4ESMN1; SMN2

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-1664059-B1 THIENOPYRROLES AS ANTIVIRAL AGENTS ANGELETTI P IST RICHERCHE BIO (IT) 2007-09-12 EP claimed