SCHEMBL24763408

SCHEMBL24763408

O=C(N1CCC(NSc2ccc(SCc3ccccc3)cc2)CC1)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.47
▸ EPHX2 P34913 3/20 0.41
▸ EPHX1 P07099 2/20 0.41
▸ LMNA P02545 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ HAO1 Q9UJM8 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ HSD11B1 P28845 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ RIPK1 Q13546 1/20 0.38
▸ CHRM1 P11229 3/20 0.37
▸ CHRM4 P08173 1/20 0.37
▸ CHRM5 P08912 1/20 0.37
▸ NR3C2 P08235 1/20 0.37

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
SCHEMBL27238543 0.83 HTT (0.47) KDM1A
SCHEMBL24762619 0.79 HTR2A (0.45) KDM1ALMNAALDH1A1HPGDSMN1; SMN2
SCHEMBL24762715 0.76 CA12 (0.37) KDM1ALMNAALDH1A1HPGDSMN1; SMN2
SCHEMBL24761961 0.75 ALDH1A1 (0.38) KDM1ALMNAALDH1A1HPGDSMN1; SMN2
SCHEMBL24762182 0.74 PKM (0.55) LMNAALDH1A1NPC1KMT2A
SCHEMBL24762050 0.73 LMNA (0.41) LMNAALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL27238639 0.72 ALDH1A1 (0.36) KDM1ALMNAALDH1A1HPGDSMN1; SMN2
SCHEMBL27238545 0.72 CA12 (0.41) ALDH1A1
SCHEMBL29799563 0.72 PPARG (0.41) LMNAALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL8444737 0.71 SMN1; SMN2 (0.48) KDM1AALDH1A1SMN1; SMN2NPC1RAB9A

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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