SCHEMBL28704845

SCHEMBL28704845

Cc1cccc(C(=O)Nc2ccc(=O)n(-c3ccccc3)c2)c1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KCNK3 O14649 7/20 0.59
▸ KCNK9 Q9NPC2 7/20 0.59
▸ KMT2A Q03164 6/20 0.59
▸ MEN1 O00255 5/20 0.59
▸ POLB P06746 1/20 0.59
▸ KCNH2 Q12809 1/20 0.56
▸ NPC1 O15118 4/20 0.56
▸ RAB9A P51151 3/20 0.56
▸ TP53 P04637 2/20 0.56
▸ L3MBTL1 Q9Y468 2/20 0.55
▸ FFAR1 O14842 1/20 0.53
▸ GLA P06280 1/20 0.53
▸ RXFP1 Q9HBX9 1/20 0.52
▸ GRM5 P41594 1/20 0.52
▸ NT5E P21589 1/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ PKM P14618 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL29386850 1.00 KCNK3 (0.59) KCNK3KCNK9KMT2AMEN1POLB
SCHEMBL28684553 0.87 PTPN1 (0.53) KCNK3KCNK9KMT2AMEN1POLB
SCHEMBL28704826 0.86 RAB9A (0.59) KMT2AMEN1POLBNPC1RAB9A
SCHEMBL28708129 0.85 KCNK3 (0.59) KCNK3KCNK9KMT2AMEN1NPC1
SCHEMBL29387093 0.85 RAB9A (0.51) KMT2AMEN1NPC1RAB9ATP53
SCHEMBL29389710 0.85 KCNK3 (0.59) KCNK3KCNK9KMT2AMEN1NPC1
SCHEMBL28690660 0.85 NPC1 (0.60) KCNK3KMT2AMEN1POLBNPC1
SCHEMBL29389334 0.85 NPC1 (0.60) KCNK3KMT2AMEN1POLBNPC1
SCHEMBL28691389 0.85 RAB9A (0.51) KMT2AMEN1NPC1RAB9ATP53
SCHEMBL28706305 0.84 NPC1 (0.64) KCNK3KCNK9KMT2AMEN1POLB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114057630-B Pirfenidone derivative and synthetic method and application thereof 郑州大学 2023-06-02 — — CN claimed
CN-114057630-A Pirfenidone derivative and synthetic method and application thereof 郑州大学 2022-02-18 — — CN claimed
CN-114057630-B Pirfenidone derivative and synthetic method and application thereof 郑州大学 2023-06-02 — — CN disclosed
CN-114057630-A Pirfenidone derivative and synthetic method and application thereof 郑州大学 2022-02-18 — — CN disclosed
Send feedback