SCHEMBL11450996

SCHEMBL11450996

O=C1c2ccccc2C(=O)N1Sc1ccccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 4/20 0.40
MAPT P10636 4/20 0.40
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
ALOX15 P16050 1/20 0.40
ALOX12 P18054 1/20 0.40
MC4R P32245 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP3A4 P08684 3/20 0.38
NFKB1 P19838 1/20 0.38
PMP22 Q01453 1/20 0.38
ATM Q13315 1/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP2C9 P11712 1/20 0.36
IDO1 P14902 1/20 0.35
DNMT1 P26358 1/20 0.35
DNMT3L Q9UJW3 1/20 0.35

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
SCHEMBL11156474 0.77 RAF1 (0.40) KMT2AIDO1POLBRECQL
SCHEMBL28320625 0.77 MEN1 (0.41) MEN1KMT2AALDH1A1MAPTPKM
SCHEMBL29666416 0.77 RAF1 (0.40) KMT2AIDO1POLBRECQL
SCHEMBL28670712 0.77 MAPT (0.40) MEN1KMT2AALDH1A1MAPTPKM
SCHEMBL5372576 0.73 MEN1 (0.53) MEN1KMT2AALDH1A1MAPTPKM
SCHEMBL30872008 0.71 CASP3 (0.48) ALDH1A1MAPTPKMHPGDALOX15
SCHEMBL809458 0.71 CASP3 (0.48) ALDH1A1MAPTPKMHPGDALOX15
SCHEMBL3851030 0.70 ALDH1A1 (0.47) MEN1KMT2AALDH1A1MAPTPKM
SCHEMBL3848372 0.69 MAPT (0.50) MEN1KMT2AALDH1A1MAPTPKM
SCHEMBL31314863 0.69 MAPT (0.50) MEN1KMT2AALDH1A1MAPTPKM

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
CN-110330526-A A kind of green synthesis method of thio phosphinate 成都理工大学 2019-10-15 CN disclosed
US-4231930-A PSYCHOTROPIC AGENTS, ANXIOLYTICS, ANTICONVULSANTS, HYPNOTICS SHIONOGI & CO., LTD. (JP) 1980-11-04 US disclosed