SCHEMBL15418809

SCHEMBL15418809

O=[SH](=O)NCc1ccc(Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
ALDH1A1 P00352 3/20 0.46
CHRM2 P08172 1/20 0.45
GAA P10253 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
IDO1 P14902 1/20 0.41
HPGD P15428 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 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
SCHEMBL15840092 0.77 SMN1; SMN2 (0.46) MEN1KMT2AALDH1A1CHRM2GAA
SCHEMBL15876410 0.77 TGM2 (0.44) MEN1KMT2ACYP2C19ALDH1A1GAA
SCHEMBL13777366 0.76 CA2 (0.48) MEN1KMT2AALDH1A1CHRM2GAA
SCHEMBL17103657 0.75 CHRM2 (0.53) CYP2C19CHRM2IDO1NPC1RAB9A
SCHEMBL19239201 0.72 LOXL2 (0.59) CYP2C9CYP2C19ALDH1A1HPGD
SCHEMBL15876417 0.72 CYP2C9 (0.38) MEN1KMT2ACYP2C9ALDH1A1SMN1; SMN2
SCHEMBL16090747 0.72 CA2 (0.52) MEN1KMT2AALDH1A1GAASMN1; SMN2
SCHEMBL415949 0.72 CHRM2 (0.67) MEN1KMT2ACYP2C9CYP2C19ALDH1A1
SCHEMBL14408419 0.71 LMNA (0.43) KMT2AALDH1A1SMN1; SMN2POLB
Hydrochloric Acid SCHEMBL7345756 0.70 MEN1 (0.54) MEN1KMT2ACYP2C9CYP2C19ALDH1A1

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
EP-2411372-B1 PROCESS FOR PREPARING AN ANTIVIRAL COMPOUND ABBVIE BAHAMAS LTD (BS) 2014-07-23 EP claimed
EP-2197879-B1 C7-SUBSTITUTED CAMPTOTHECIN ANALOGS BIONUMERIK PHARMACEUTICALS INC (US) 2014-01-22 EP claimed