SCHEMBL28996907

SCHEMBL28996907

Br[Mg]Br.Clc1ccc(Oc2ccc(Cl)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.61
MAOB P27338 2/20 0.61
LMNA P02545 2/20 0.44
CYP2A6 P11509 1/20 0.44
LTA4H P09960 9/20 0.44
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SCN9A Q15858 1/20 0.42
HAO1 Q9UJM8 1/20 0.42
CA2 P00918 1/20 0.41
MMP2 P08253 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
SCHEMBL9242729 0.88 MAOA (0.74) MAOAMAOBLMNACYP2A6LTA4H
SCHEMBL457634 0.88 MAOA (0.74) MAOAMAOBLMNACYP2A6LTA4H
SCHEMBL30385926 0.85 MAOA (0.70) MAOAMAOBLMNACYP2A6LTA4H
SCHEMBL6614179 0.81 MAOA (0.58) MAOAMAOBLMNACYP2A6LTA4H
SCHEMBL34467621 0.80 MAOA (0.52) MAOAMAOBLTA4HALDH1A1KDM4E
SCHEMBL9121691 0.80 MAOA (0.64) MAOAMAOBLMNACYP2A6LTA4H
Formaldehyde SCHEMBL28347928 0.80 MAOA (0.64) MAOAMAOBLMNACYP2A6LTA4H
SCHEMBL196125 0.78 LTA4H (0.67) MAOAMAOBLTA4HMEN1CYP1A2
SCHEMBL424800 0.76 TEAD4 (0.58) MAOAMAOBALDH1A1MEN1MAPT
SCHEMBL987344 0.76 LTA4H (0.61) MAOAMAOBLTA4HALDH1A1MEN1

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
CN-115925753-A Method for rapidly synthesizing ferrocene phenanthridine compound 中国科学技术大学 2023-04-07 CN disclosed