SCHEMBL25964997

SCHEMBL25964997

Cc1nnc(-c2ccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)ON3C(=O)CCC3=O)cc2)nn1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ ADORA2A P29274 1/20 0.38
▸ ADORA2B P29275 1/20 0.38
▸ L3MBTL1 Q9Y468 3/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ LMNA P02545 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPK1 P28482 1/20 0.33

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
SCHEMBL21896456 1.00 RARB (0.38) RARBADORA3ADORA2AADORA2BL3MBTL1
SCHEMBL17721291 1.00 RARB (0.38) RARBADORA3ADORA2AADORA2BL3MBTL1
SCHEMBL31083780 1.00 RARB (0.38) RARBADORA3ADORA2AADORA2BL3MBTL1
SCHEMBL25493957 0.93 NPSR1 (0.40) ADORA3ADORA2AADORA2BL3MBTL1NPSR1
SCHEMBL18748754 0.93 RARB (0.35) RARBADORA3ADORA2AADORA2BL3MBTL1
SCHEMBL31199169 0.84 SMN1; SMN2 (0.40) SMN1; SMN2KDM4EALDH1A1NPC1RAB9A
SCHEMBL17721287 0.83 L3MBTL1 (0.32) RARBL3MBTL1NPSR1MAPTLMNA
SCHEMBL16974355 0.83 TP53 (0.40) SMN1; SMN2ALDH1A1TP53
SCHEMBL30155344 0.82 RARB (0.39) RARBL3MBTL1NPSR1MAPTSMN1; SMN2
SCHEMBL30943672 0.81 KDM4E (0.37) L3MBTL1MAPTLMNAKDM4ERAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023192384-A1 TETRAZINE-DERIVED LINKERS FOR SINGLE GUIDE RNAS UNIVERSITY OF MASSACHUSETTS (US) 2023-10-05 — — WO disclosed
WO-2023141856-A1 CD3-TARGETING MULTISPECIFIC ANTIBODY AND USE THEREOF 岩唐生物科技(杭州)有限责任公司 2023-08-03 — — WO disclosed
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