SCHEMBL30089752

SCHEMBL30089752

COc1cccc(OC)c1CNc1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 4/20 0.74
MAPT P10636 2/20 0.53
ALOX15 P16050 2/20 0.47
ALOX12 P18054 1/20 0.47
KDM1A O60341 1/20 0.44
MAOA P21397 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA4 P22748 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL5515739 0.84 HIF1A (0.56) HIF1AMAPTALOX12ALDH1A1KDM4E
SCHEMBL10388545 0.81 HIF1A (0.74) HIF1AMAPTALOX15ALDH1A1KDM4E
SCHEMBL30287924 0.81 HIF1A (0.74) HIF1AMAPTALOX15ALDH1A1KDM4E
SCHEMBL25233068 0.78 ALOX12 (0.72) HIF1AMAPTALOX15ALOX12ALDH1A1
SCHEMBL4614011 0.78 HIF1A (0.50) HIF1AMAPTKDM1AMAOAALDH1A1
SCHEMBL2549434 0.75 HTR7 (0.50) HIF1AMAPTALOX15ALOX12KDM1A
SCHEMBL5542252 0.75 HIF1A (0.51) HIF1AMAPTCA12CA1CA2
SCHEMBL14868250 0.75 HIF1A (0.48) HIF1AMAPTALOX12ALDH1A1KDM4E
SCHEMBL11063149 0.74 HIF1A (0.53) HIF1AMAPTALOX15ALDH1A1KDM4E
SCHEMBL16950132 0.74 HIF1A (0.49) HIF1AMAPTALOX15ALOX12KDM1A

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-115551355-A Active compound combinations and fungicide compositions comprising them 拜耳公司 2022-12-30 CN disclosed