SCHEMBL30516670

SCHEMBL30516670

Cc1cc(C(=O)NC2CCC23CCC3)cs1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 7/20 0.49
▸ RAB9A P51151 7/20 0.49
▸ ALDH1A1 P00352 4/20 0.44
▸ DAO P14920 1/20 0.41
▸ SMN1; SMN2 Q16637 6/20 0.41
▸ TP53 P04637 4/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ HPGD P15428 3/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ USP2 O75604 2/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ CTSS P25774 1/20 0.38

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
SCHEMBL12124461 0.77 RAB9A (0.71) NPC1RAB9AALDH1A1DAOSMN1; SMN2
SCHEMBL12124368 0.77 RAB9A (0.67) NPC1RAB9AALDH1A1DAOSMN1; SMN2
SCHEMBL12124434 0.76 NPC1 (0.62) NPC1RAB9AALDH1A1DAOSMN1; SMN2
SCHEMBL30516661 0.76 NPC1 (0.42) NPC1RAB9AALDH1A1DAOSMN1; SMN2
SCHEMBL12124462 0.76 RAB9A (0.73) NPC1RAB9AALDH1A1SMN1; SMN2TP53
SCHEMBL30516651 0.75 HDAC1 (0.50) NPC1RAB9ADAOHPGDCTSS
SCHEMBL30516645 0.73 NAMPT (0.39) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL31438405 0.72 TLR7 (0.42) TDP1MAPT
SCHEMBL12124244 0.70 KDM1A (0.56) NPC1RAB9AALDH1A1DAOSMN1; SMN2
SCHEMBL12124258 0.70 NPC1 (0.55) NPC1RAB9AALDH1A1DAOSMN1; SMN2

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
CN-116529238-A Novel prostaglandin E 2 Compounds with receptor inhibiting activity and uses thereof 治纳辅医药科技有限公司 2023-08-01 — — CN disclosed
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