SCHEMBL28855119

SCHEMBL28855119

N#Cc1ccccc1SC(N)=S

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ MAPT P10636 5/20 0.42
▸ ALDH1A1 P00352 5/20 0.40
▸ LMNA P02545 4/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ HPGD P15428 3/20 0.40
▸ GAA P10253 3/20 0.40
▸ MAP2K1 Q02750 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ RAF1 P04049 1/20 0.40
▸ BRAF P15056 1/20 0.40
▸ AKT1 P31749 1/20 0.40
▸ MAP2K2 P36507 1/20 0.40
▸ MAPK14 Q16539 1/20 0.40
▸ MAPKAPK5 Q8IW41 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL14237961 0.75 MAPT (0.45) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL21444837 0.74 LMNA (0.50) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL28351980 0.73 ALDH1A1 (0.38) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL30320250 0.72 CYP1A2 (0.57) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL100732 0.72 CYP1A2 (0.76) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL224653 0.72 CYP1A2 (0.57) CYP1A2CYP3A4CYP2C9CYP2C19MAPT
SCHEMBL29813313 0.70 ALDH1A1 (0.35) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL21807618 0.69 PKM (0.44) MAPTALDH1A1LMNASMN1; SMN2MAPK1
SCHEMBL14919249 0.69 MAPT (0.41) CYP3A4MAPTALDH1A1GAATDP1
SCHEMBL6689766 0.69 ALDH1A1 (0.43) MAPTALDH1A1LMNAHPGDSMN1; 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
CN-110959019-B Block copolymer and method for producing block copolymer 电化株式会社 2022-10-14 — — CN disclosed
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