SCHEMBL31511489

SCHEMBL31511489

O=c1oc2ccccc2c2ccc(Br)cc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.53
▸ RXFP1 Q9HBX9 1/20 0.53
▸ ESR2 Q92731 2/20 0.49
▸ L3MBTL1 Q9Y468 2/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ TNKS O95271 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ PIK3CD O00329 1/20 0.48
▸ PIK3CA P42336 1/20 0.48
▸ PIK3CB P42338 1/20 0.48
▸ PIK3CG P48736 1/20 0.48
▸ GABRP O00591 2/20 0.47

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
SCHEMBL10357156 1.00 NPSR1 (0.53) NPSR1RXFP1ESR2L3MBTL1KDM4E
SCHEMBL17637791 0.93 NPSR1 (0.53) NPSR1RXFP1L3MBTL1KDM4EALDH1A1
SCHEMBL16801876 0.87 NPC1 (0.64) NPSR1RXFP1L3MBTL1KDM4EALDH1A1
SCHEMBL16797962 0.87 NPSR1 (0.64) NPSR1RXFP1L3MBTL1KDM4EALDH1A1
SCHEMBL205534 0.87 PDE2A (0.56) NPSR1RXFP1ESR2L3MBTL1KDM4E
SCHEMBL15159992 0.82 ESR2 (0.59) ESR2KDM4EALDH1A1MAPTNPC1
SCHEMBL16925949 0.81 CYP1A2 (0.43) RXFP1ESR2L3MBTL1KDM4EALDH1A1
SCHEMBL29416517 0.80 KMT2A (0.62) NPSR1RXFP1L3MBTL1KDM4EALDH1A1
SCHEMBL304367 0.80 KMT2A (0.62) NPSR1RXFP1L3MBTL1KDM4EALDH1A1
SCHEMBL29709713 0.80 KMT2A (0.62) NPSR1RXFP1L3MBTL1KDM4EALDH1A1

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
EP-3424907-B1 CONNECTIONS AND ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2025-03-12 — — EP disclosed
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