SCHEMBL28291094

SCHEMBL28291094

Oc1ccccc1Nc1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 2/20 0.50
MEN1 O00255 7/20 0.44
KMT2A Q03164 7/20 0.44
MAPT P10636 6/20 0.42
ALDH1A1 P00352 3/20 0.42
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
LMNA P02545 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
HTT P42858 1/20 0.42
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
OPRM1 P35372 1/20 0.41
OPRD1 P41143 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
SCHEMBL1920750 0.89 CXCR2 (0.59) CXCR2MEN1KMT2AMAPTALDH1A1
SCHEMBL1921886 0.83 CXCR2 (0.53) CXCR2MEN1KMT2AMAPTALDH1A1
SCHEMBL6760764 0.83 MAPT (0.55) CXCR2MEN1KMT2AMAPTALDH1A1
SCHEMBL11000813 0.83 CXCR2 (0.63) CXCR2MEN1KMT2AMAPTALDH1A1
SCHEMBL29720861 0.82 CXCR2 (0.68) CXCR2MEN1KMT2AMAPTALDH1A1
SCHEMBL1008928 0.82 CXCR2 (0.68) CXCR2MEN1KMT2AMAPTALDH1A1
SCHEMBL27435565 0.80 CXCR2 (0.66) CXCR2MEN1KMT2AMAPTALDH1A1
SCHEMBL9566028 0.79 CXCR2 (0.50) CXCR2MEN1KMT2AMAPTALDH1A1
SCHEMBL19185367 0.79 MAPT (0.64) CXCR2MEN1KMT2AMAPTALDH1A1
SCHEMBL30686692 0.79 MAPT (0.60) CXCR2MEN1KMT2AMAPTALDH1A1

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-109734610-A A kind of m-substituted phenol compound and the preparation method and application thereof 广东工业大学 2019-05-10 CN disclosed