SCHEMBL29613286

SCHEMBL29613286

COc1ccc2c(ccc3nc(-c4ccccc4OC)ccc32)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.53
SMN1; SMN2 Q16637 6/20 0.53
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
ALDH1A1 P00352 7/20 0.52
POLB P06746 3/20 0.48
MAOA P21397 1/20 0.48
MAOB P27338 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
HPGD P15428 3/20 0.47
MAPT P10636 3/20 0.47
LMNA P02545 2/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46
NPC1 O15118 1/20 0.46
NQO2 P16083 1/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46

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
SCHEMBL2036825 0.89 MAOA (0.58) KDM4ESMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL28732805 0.86 ALDH1A1 (0.50) KDM4ESMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL29613264 0.86 ALDH1A1 (0.50) KDM4ESMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL15578480 0.79 KDM4E (0.72) KDM4ESMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL12732472 0.76 KDM4E (0.56) KDM4ESMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL29746285 0.75 ALDH1A1 (0.59) KDM4ESMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL5682766 0.75 ALDH1A1 (0.59) KDM4ESMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL14500756 0.74 NCF1 (0.51) KDM4ESMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL4773101 0.74 HSP90AA1 (0.51) KDM4ESMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL17144673 0.74 CYP1A1 (0.56) KDM4ESMN1; SMN2MEN1KMT2AALDH1A1

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
CN-114466913-B Dihydro quinoline photochromic compounds 光学转变有限公司 2024-07-30 CN disclosed
CN-114466913-A Dihydroquinoline photochromic compounds 光学转变有限公司 2022-05-10 CN disclosed