SCHEMBL11276019

SCHEMBL11276019

O=C(c1ccccc1C(=O)N(SC1CCCCC1)c1ccccc1)N(SC1CCCCC1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
RAB9A P51151 3/20 0.40
MEN1 O00255 2/20 0.40
KDM4E B2RXH2 2/20 0.40
NPC1 O15118 2/20 0.40
MITF O75030 1/20 0.40
PAX8 Q06710 1/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 3/20 0.39
TSHR P16473 1/20 0.39
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
LMNA P02545 3/20 0.38
GAA P10253 2/20 0.38
TRPM8 Q7Z2W7 1/20 0.38
POLB P06746 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
ABCC1 P33527 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
SCHEMBL11276466 1.00 ALDH1A1 (0.40) ALDH1A1KMT2ASMN1; SMN2RAB9AMEN1
SCHEMBL11271271 0.98 KEAP1 (0.39) ALDH1A1KMT2ASMN1; SMN2RAB9AMEN1
SCHEMBL11359679 0.86 ALDH1A1 (0.41) ALDH1A1KMT2ASMN1; SMN2RAB9AMEN1
SCHEMBL11288778 0.85 ALDH1A1 (0.43) ALDH1A1KMT2ASMN1; SMN2RAB9AMEN1
SCHEMBL11293022 0.85 ALDH1A1 (0.43) ALDH1A1KMT2ASMN1; SMN2RAB9AMEN1
SCHEMBL11353342 0.85 ALDH1A1 (0.43) ALDH1A1KMT2ASMN1; SMN2RAB9AMEN1
SCHEMBL11291463 0.83 ALDH1A1 (0.41) ALDH1A1KMT2ASMN1; SMN2RAB9AMEN1
SCHEMBL11359698 0.79 GAA (0.43) ALDH1A1KMT2ASMN1; SMN2RAB9AMEN1
SCHEMBL11358324 0.78 ALDH1A1 (0.38) ALDH1A1KMT2ASMN1; SMN2RAB9AMEN1
SCHEMBL11246208 0.78 PKM (0.40) ALDH1A1KMT2ASMN1; SMN2RAB9AMEN1

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
US-4313892-A VULCANIZATION INHIBITORS MONSANTO COMPANY (US) 1982-02-02 US disclosed
US-4248805-A Vulcanizable rubber compositions containing N-(sulfenyl) phthalamides as scorch inhibitors MONSANTO COMPANY (US) 1981-02-03 US disclosed