SCHEMBL9206016

SCHEMBL9206016

CCCCCOC(=S)Nc1cc(C(=O)O)c(Cl)c(C(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HPGD P15428 2/20 0.39
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PTPN1 P18031 1/20 0.37
PPARA Q07869 1/20 0.36
GPR35 Q9HC97 1/20 0.36
EPHX2 P34913 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
SCHEMBL9199383 0.92 HPGD (0.47) MEN1KMT2AHPGDALDH1A1SMN1; SMN2
SCHEMBL9196782 0.87 MAPT (0.38) MEN1KMT2AHPGDALDH1A1SMN1; SMN2
SCHEMBL9205543 0.86 ALDH1A1 (0.39) MEN1KMT2AHPGDALDH1A1SMN1; SMN2
SCHEMBL9196940 0.85 RAB9A (0.56) MEN1KMT2AHPGDALDH1A1SMN1; SMN2
SCHEMBL9207049 0.81 GAA (0.36) MEN1KMT2AHPGDALDH1A1SMN1; SMN2
SCHEMBL9198647 0.80 ACHE (0.37) KMT2AHPGDALDH1A1SMN1; SMN2NPC1
SCHEMBL9199236 0.80 MAPT (0.39) MEN1KMT2AHPGDALDH1A1SMN1; SMN2
SCHEMBL9150595 0.75 KDM4C (0.57) MEN1KMT2AHPGDALDH1A1L3MBTL1
SCHEMBL9199834 0.73 GPR35 (0.38) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL9202904 0.72 ALDH1A1 (0.46) MEN1KMT2AHPGDALDH1A1SMN1; 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-0497816-B1 TREATMENT OF HIV INFECTIONS AND COMPOUNDS USEFUL THEREIN UNIROYAL CHEMICAL LTD (CA) 1995-05-17 EP claimed