SCHEMBL31190846

SCHEMBL31190846

C=Cc1n[nH]c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.52
▸ GAA P10253 2/20 0.52
▸ PDPK1 O15530 2/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ IDO1 P14902 3/20 0.48
▸ ALDH1A1 P00352 2/20 0.48
▸ TTK P33981 2/20 0.48
▸ MAPK10 P53779 2/20 0.48
▸ ALPL P05186 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ CYP1A2 P05177 1/20 0.44
▸ LRRK2 Q5S007 3/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ PIM1 P11309 1/20 0.41
▸ AURKA O14965 3/20 0.40
▸ FGFR1 P11362 2/20 0.40
▸ FLT1 P17948 2/20 0.40
▸ ITK Q08881 2/20 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
SCHEMBL298966 1.00 KDM4E (0.52) KDM4EGAAPDPK1CYP3A4IDO1
SCHEMBL2880877 0.84 KDM4E (0.48) KDM4EGAAPDPK1CYP3A4IDO1
SCHEMBL18844727 0.81 CHEK1 (0.53) PDPK1TTKMAPK10LRRK2AURKA
SCHEMBL7329986 0.79 KDM4E (0.52) KDM4EGAAPDPK1CYP3A4IDO1
SCHEMBL7331545 0.79 KDM4E (0.52) KDM4EGAAPDPK1CYP3A4IDO1
SCHEMBL5693192 0.79 KDM4E (0.52) KDM4EGAAPDPK1CYP3A4IDO1
SCHEMBL7331167 0.79 KDM4E (0.57) KDM4EGAAPDPK1CYP3A4IDO1
SCHEMBL14412480 0.79 KDM4E (0.52) KDM4EGAAPDPK1CYP3A4IDO1
SCHEMBL29643994 0.79 KDM4E (0.52) KDM4EGAAPDPK1CYP3A4IDO1
SCHEMBL730639 0.79 KDM4E (0.52) KDM4EGAAPDPK1CYP3A4IDO1

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
WO-2024220747-A2 FLUORINATED CYCLIC DERIVATIVES OF SULFONAMIDES AND SULFONES, AND COMPOSITIONS AND METHODS THEREOF Lysoway Therapeutics, Inc. (US) 2024-10-24 — — WO disclosed
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