SCHEMBL28140993

SCHEMBL28140993

CCN(C)S(=O)(=O)Nc1ccccc1F

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 1/20 0.62
LIMK2 P53671 1/20 0.43
SLC22A12 Q96S37 1/20 0.42
POLB P06746 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPK1 P28482 1/20 0.41
ALPL P05186 1/20 0.40
ALPI P09923 1/20 0.40
ALPG P10696 1/20 0.40
BRAF P15056 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL12470467 0.81 THRB (0.47) ALDH1A1BRAFPKM
SCHEMBL31111510 0.77 BRAF (0.39) PSIP1POLBALDH1A1MAPK1BRAF
SCHEMBL16266543 0.77 BRAF (0.39) PSIP1POLBBRAF
SCHEMBL16266367 0.77 CYP2C9 (0.39) PSIP1POLBBRAF
SCHEMBL3712510 0.77 PSIP1 (1.00) PSIP1SLC22A12POLBALDH1A1SMN1; SMN2
SCHEMBL12472503 0.75 CYP2C9 (0.63) PSIP1ALDH1A1BRAFSMN1; SMN2
SCHEMBL16266453 0.74 KDM4E (0.43) POLBALDH1A1BRAFGAAKDM4E
SCHEMBL25455943 0.73 BRAF (0.55) LIMK2BRAF
SCHEMBL1490948 0.73 BRAF (0.55) LIMK2BRAF
SCHEMBL12459797 0.72 PSIP1 (0.77) PSIP1SLC22A12BRAFSMN1; SMN2GAA

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
CN-103517710-B For the compound of kinases regulation 普莱希科公司 2017-05-31 CN disclosed