SCHEMBL19973462

SCHEMBL19973462

N[C@H]1CCSc2c(C(=O)Nc3ccc(F)c(F)c3)ccc(F)c21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.43
MAPT P10636 2/20 0.43
RAB9A P51151 5/20 0.43
NPC1 O15118 4/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KCNH2 Q12809 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HDAC3 O15379 1/20 0.40
EGFR P00533 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 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
SCHEMBL19973464 1.00 TP53 (0.43) TP53MAPTRAB9ANPC1CYP3A4
Hydrochloric Acid SCHEMBL19973960 0.99 MAPT (0.43) TP53MAPTRAB9ANPC1CYP3A4
Hydrochloric Acid SCHEMBL19973958 0.99 MAPT (0.43) TP53MAPTRAB9ANPC1CYP3A4
SCHEMBL20509562 0.89 TP53 (0.44) TP53MAPTRAB9ANPC1CYP3A4
Hydrochloric Acid SCHEMBL19973631 0.89 FADS1 (0.50) MAPTRAB9ANPC1SMN1; SMN2MEN1
SCHEMBL21189203 0.85 MAPT (0.43) TP53MAPTRAB9ANPC1CYP3A4
SCHEMBL19973955 0.84 TP53 (0.43) TP53MAPTRAB9ANPC1CYP3A4
SCHEMBL19973882 0.84 TP53 (0.43) TP53MAPTRAB9ANPC1CYP3A4
SCHEMBL19973550 0.84 TP53 (0.43) TP53MAPTRAB9ANPC1CYP3A4
Hydrochloric Acid SCHEMBL19973578 0.83 TP53 (0.42) TP53MAPTRAB9ANPC1CYP3A4

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