SCHEMBL24763409

SCHEMBL24763409

Cc1ccc(C2(N3CCN(C(=O)C(F)(F)F)CC3)COC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ PKM P14618 1/20 0.35
▸ TYRO3 Q06418 1/20 0.34
▸ MERTK Q12866 1/20 0.34
▸ PDK2 Q15119 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ CYP1A2 P05177 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ MEN1 O00255 3/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ USP2 O75604 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ HSD11B1 P28845 1/20 0.32
▸ ESR1 P03372 1/20 0.32
▸ ESR2 Q92731 1/20 0.32

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
SCHEMBL24763407 0.87 AKR1C3 (0.36) AKR1C3ESR1ESR2
SCHEMBL24762229 0.83 RORC (0.33) PKMCYP2C19
SCHEMBL24763412 0.77 LMNA (0.39) ALDH1A1PKMSMN1; SMN2LMNARAB9A
SCHEMBL24762049 0.74 CXCR3 (0.40) AKR1C3HSD11B1ESR1ESR2
SCHEMBL24762716 0.70 RORC (0.34) —
SCHEMBL8298564 0.68 CYP1A2 (0.61) ALDH1A1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL4449878 0.67 KMT2A (0.63) ALDH1A1PKMLMNARAB9AMEN1
SCHEMBL20705482 0.66 RAB9A (0.50) ALDH1A1PDK2SMN1; SMN2LMNARAB9A
SCHEMBL17954203 0.66 MAPT (0.71) ALDH1A1SMN1; SMN2LMNARAB9AMEN1
SCHEMBL16599075 0.66 AR (0.48) PDK2

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-2022169755-A1 SULFONAMIDE SUBSTITUTED N-(1H-INDOL-7-YL) BENZENESULFONAMIDES AND USES THEREOF TRIANA BIOMEDICINES, INC. (US) 2022-08-11 — — WO disclosed
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