SCHEMBL29494547

SCHEMBL29494547

Cc1ccc(NC(=O)CN)cc1C(=O)NCc1cnc2ccccc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.48
▸ NPC1 O15118 4/20 0.48
▸ MAPT P10636 4/20 0.48
▸ GAA P10253 1/20 0.48
▸ BTK Q06187 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ KCNB1 Q14721 1/20 0.41
▸ HTT P42858 4/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ LMNA P02545 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ NOTUM Q6P988 1/20 0.40
▸ JAK3 P52333 2/20 0.39
▸ MITF O75030 1/20 0.39
▸ KDR P35968 1/20 0.39
▸ BLK P51451 1/20 0.39
▸ BCHE P06276 1/20 0.39

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
SCHEMBL29494447 0.90 MAPT (0.50) RAB9ANPC1MAPTGAABTK
SCHEMBL29494530 0.89 NPC1 (0.51) RAB9ANPC1MAPTGAAPOLB
SCHEMBL29494503 0.87 HDAC1 (0.44) RAB9ANPC1HTTALDH1A1SMN1; SMN2
SCHEMBL29494565 0.86 KCNB1 (0.46) RAB9ANPC1MAPTGAAKCNH2
SCHEMBL29494535 0.81 KLKB1 (0.49) RAB9ANPC1MAPTGAAPOLB
SCHEMBL29494461 0.77 BLK (0.50) MAPTBTKKCNH2KCNB1HTT
SCHEMBL29494552 0.76 ADORA2A (0.43) RAB9ANPC1MAPTKCNH2KCNB1
SCHEMBL29494485 0.73 KCNH2 (0.45) RAB9ANPC1MAPTKCNH2KCNB1
SCHEMBL29494484 0.73 SMN1; SMN2 (0.41) RAB9ANPC1GAABTKHTT
SCHEMBL9365921 0.70 KDM4E (0.51) RAB9ANPC1GAAPOLBLMNA

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-2022070048-A1 NOVEL AMIDE DERIVATIVES CADILA HEALTHCARE LIMITED (IN) 2022-04-07 — — WO disclosed
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