SCHEMBL25824461

SCHEMBL25824461

Clc1ccc2oc(Br)cc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.55
KDM4E B2RXH2 5/20 0.47
GPR35 Q9HC97 2/20 0.47
CYP1A2 P05177 2/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP2C9 P11712 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
KMT2A Q03164 1/20 0.46
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
ADAM17 P78536 1/20 0.42
HSD17B10 Q99714 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LMNA P02545 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
SCHEMBL25824622 0.83 CA12 (0.46) MAOBCYP1A2CA12CA9LMNA
SCHEMBL16426150 0.77 CYP2A6 (0.57) MAOBGPR35ALDH1A1CA1CA2
SCHEMBL29883416 0.77 CYP2A6 (0.57) MAOBGPR35ALDH1A1CA1CA2
SCHEMBL14231749 0.77 MAOB (0.59) MAOBKDM4EGPR35CYP1A2ALDH1A1
SCHEMBL7971600 0.76 MAOB (0.68) MAOBKDM4EGPR35CYP1A2ALDH1A1
SCHEMBL23920139 0.74 MAOB (0.55) MAOBKDM4EGPR35CYP1A2ALDH1A1
SCHEMBL15031529 0.74 MAOB (0.55) MAOBKDM4EGPR35CYP1A2ALDH1A1
SCHEMBL434464 0.74 MAOB (0.55) MAOBKDM4EGPR35CYP1A2ALDH1A1
SCHEMBL15031527 0.74 MAOB (0.55) MAOBKDM4EGPR35CYP1A2ALDH1A1
SCHEMBL28117929 0.74 MAOB (0.55) MAOBKDM4EGPR35CYP1A2ALDH1A1

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
WO-2023132488-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2023-07-13 WO disclosed