SCHEMBL19973463

SCHEMBL19973463

N[C@H]1CCOc2c(C(=O)Nc3ccc(F)c(F)c3)ccc(SF)c21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.42
TP53 P04637 2/20 0.41
RAB9A P51151 8/20 0.39
NPC1 O15118 7/20 0.39
LMNA P02545 2/20 0.39
CASP3 P42574 1/20 0.39
SENP8 Q96LD8 1/20 0.39
SENP7 Q9BQF6 1/20 0.39
SENP6 Q9GZR1 1/20 0.39
ENPP2 Q13822 1/20 0.39
MAPT P10636 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KCNH2 Q12809 1/20 0.38
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 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
Hydrochloric Acid SCHEMBL19973959 0.99 MAOB (0.41) MAOBTP53RAB9ANPC1LMNA
Hydrochloric Acid SCHEMBL19973986 0.99 MAOB (0.41) MAOBTP53RAB9ANPC1LMNA
Hydrochloric Acid SCHEMBL19973632 0.90 FADS1 (0.44) RAB9ANPC1LMNAALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL19974001 0.88 MAOB (0.46) MAOBTP53RAB9ANPC1LMNA
Hydrochloric Acid SCHEMBL19973572 0.88 MAOB (0.46) MAOBTP53RAB9ANPC1LMNA
SCHEMBL19973883 0.85 MAOB (0.40) MAOBTP53RAB9ANPC1LMNA
SCHEMBL19973956 0.85 MAOB (0.40) MAOBTP53RAB9ANPC1LMNA
SCHEMBL19973551 0.85 MAOB (0.40) MAOBTP53RAB9ANPC1LMNA
Hydrochloric Acid SCHEMBL19973624 0.84 NPC1 (0.47) MAOBRAB9ANPC1LMNACASP3
Hydrochloric Acid SCHEMBL19973621 0.84 NPC1 (0.47) MAOBRAB9ANPC1LMNACASP3

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-2018052967-A1 SUBSTITUTED CHROMANE-8-CARBOXAMIDE COMPOUNDS AND ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA, INC. (US) 2018-03-22 WO disclosed