SCHEMBL9170601

SCHEMBL9170601

Brc1cccc2c(OCc3ccccc3)ccc(Br)c12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 3/20 0.47
▸ MAPT P10636 2/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ HTR1A P08908 1/20 0.45
▸ DRD2 P14416 1/20 0.45
▸ RAB9A P51151 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ MAOB P27338 1/20 0.44
▸ MRGPRX4 Q96LA9 2/20 0.43
▸ LTA4H P09960 1/20 0.43
▸ PLA2G2A P14555 1/20 0.43
▸ TRPM8 Q7Z2W7 1/20 0.43
▸ GPR84 Q9NQS5 1/20 0.42
▸ PLAU P00749 1/20 0.42
▸ PLAT P00750 1/20 0.42
▸ SRD5A2 P31213 1/20 0.40
▸ THRA P10827 1/20 0.40
▸ THRB P10828 1/20 0.40

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
SCHEMBL1356852 0.84 GPR84 (0.51) L3MBTL1MAPTTDP1MAPK1HTR1A
SCHEMBL30250452 0.84 GPR84 (0.51) L3MBTL1MAPTTDP1MAPK1HTR1A
SCHEMBL4527909 0.83 TDP1 (0.55) L3MBTL1MAPTTDP1MAPK1HTR1A
SCHEMBL17736787 0.82 HTR1A (0.44) L3MBTL1MAPTTDP1MAPK1HTR1A
SCHEMBL416462 0.80 MAPT (0.57) L3MBTL1MAPTTDP1MAPK1HTR1A
SCHEMBL29380769 0.80 MAPT (0.57) L3MBTL1MAPTTDP1MAPK1HTR1A
SCHEMBL19584850 0.78 MAPT (0.46) L3MBTL1MAPTTDP1MAPK1HTR1A
SCHEMBL31602902 0.76 PLAU (0.48) L3MBTL1MAPTTDP1MAPK1HTR1A
SCHEMBL1081189 0.76 MAPT (0.59) L3MBTL1MAPTTDP1MAPK1HTR1A
SCHEMBL29414783 0.76 MAPT (0.59) L3MBTL1MAPTTDP1MAPK1HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0561948-B1 PHOSPHONIC ACID DERIVATIVES USEFUL AS ANTIINFLAMMATORY AGENTS UPJOHN CO (US) 1995-04-05 — — EP disclosed
EP-0622373-A1 Phosphonic acid derivatives useful as anti-inflammatory agents THE UPJOHN COMPANY (US) 1994-11-02 — — EP disclosed
US-5360797-A Bisphosphonic acid derivatives useful as anti-arthritic agents THE UPJOHN COMPANY (US) 1994-11-01 — — US disclosed
US-5298498-A Antiarthritic agents THE UPJOHN COMPANY (US) 1994-03-29 — — US disclosed
EP-0561948-A1 PHOSPHONIC ACID DERIVATIVES USEFUL AS ANTIINFLAMMATORY AGENTS. UPJOHN CO (US) 1993-09-29 — — EP disclosed
WO-1992010504-A2 PHOSPHONIC ACID DERIVATIVES USEFUL AS ANTIINFLAMMATORY AGENTS THE UPJOHN COMPANY (US) 1992-06-25 — — WO disclosed
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