SCHEMBL9329310

SCHEMBL9329310

O=C1c2cccc3c(OCc4ccccc4)ccc(c23)C(=O)N1CBr

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1B1 Q16678 9/20 0.53
▸ MAPT P10636 4/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ HTT P42858 3/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ LMNA P02545 2/20 0.49
▸ RGS12 O14924 1/20 0.49
▸ USP2 O75604 1/20 0.49
▸ RECQL P46063 1/20 0.49
▸ HDAC1 Q13547 2/20 0.48
▸ HDAC6 Q9UBN7 2/20 0.48
▸ ALDH1A1 P00352 3/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ POLB P06746 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ TAAR1 Q96RJ0 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.44
▸ GAA P10253 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ PRMT1 Q99873 1/20 0.44

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
SCHEMBL11714592 0.84 CYP1B1 (0.46) CYP1B1MAPTKMT2AHTTMEN1
SCHEMBL11709021 0.81 PRMT1 (0.46) CYP1B1MAPTKMT2AHTTMEN1
SCHEMBL9169702 0.80 TYMS (0.48) CYP1B1MAPTKMT2AMEN1RAB9A
SCHEMBL11718152 0.79 PRMT1 (0.44) CYP1B1MAPTKMT2AHTTMEN1
SCHEMBL7706791 0.74 PRMT1 (0.60) CYP1B1MAPTKMT2AHTTMEN1
SCHEMBL17736787 0.72 HTR1A (0.44) MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL9437179 0.71 CYP1B1 (0.62) CYP1B1MAPTKMT2AHTTMEN1
SCHEMBL7712197 0.71 CYP1B1 (0.65) CYP1B1MAPTKMT2AMEN1LMNA
SCHEMBL9170601 0.70 L3MBTL1 (0.47) MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL416462 0.70 MAPT (0.57) MAPTLMNAHDAC6RAB9ANPC1

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
US-5304549-A Control or prevention of degenerative joint diseases HOFFMANN-LA ROCHE INC. (US) 1994-04-19 — — US disclosed
EP-0497192-A2 Amino acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1992-08-05 — — EP disclosed
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