SCHEMBL22325859

SCHEMBL22325859

CC(=O)Nc1cccc(Br)c1Oc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.46
▸ ALOX15 P16050 1/20 0.45
▸ ALDH1A1 P00352 5/20 0.45
▸ HPGD P15428 1/20 0.45
▸ RAB9A P51151 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ HTT P42858 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ NPC1 O15118 2/20 0.43
▸ BRD4 O60885 1/20 0.42
▸ PTGDR2 Q9Y5Y4 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ ATM Q13315 1/20 0.41

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
SCHEMBL22325923 0.85 TAS2R38 (0.41) ALDH1A1HPGDRAB9AHTTMAPT
SCHEMBL28294431 0.83 ALDH1A1 (0.59) POLBCYP2C19ALOX15ALDH1A1HPGD
SCHEMBL6282611 0.82 PTGDR2 (0.47) POLBCYP2C19ALOX15ALDH1A1HPGD
SCHEMBL422636 0.76 RXFP1 (0.61) POLBCYP2C19RXFP1ALDH1A1HPGD
SCHEMBL29408737 0.76 RXFP1 (0.61) POLBCYP2C19RXFP1ALDH1A1HPGD
SCHEMBL2342698 0.76 ADRA2C (0.64) POLBALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL30327328 0.76 ADRA2C (0.64) POLBALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL7719997 0.74 L3MBTL1 (0.54) POLBALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL31522017 0.74 TDP1 (0.52) POLBCYP2C19ALOX15ALDH1A1RAB9A
SCHEMBL6694336 0.73 RXFP1 (0.53) POLBCYP2C19RXFP1ALDH1A1HPGD

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-2020162471-A1 PYRIDONE DERIVATIVE マルホ株式会社 2020-08-13 — — WO disclosed
WO-2020162471-A1 PYRIDONE DERIVATIVE マルホ株式会社 2020-08-13 — — WO disclosed
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