SCHEMBL29698642

SCHEMBL29698642

Cc1cccc(N(C)c2ccccc2C(=O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
ALDH1A1 P00352 4/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.43
JAK2 O60674 1/20 0.43
HTT P42858 1/20 0.43
PAX8 Q06710 1/20 0.43
HPGD P15428 2/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HSD17B1 P14061 2/20 0.42
HSD17B2 P37059 2/20 0.42
GAA P10253 2/20 0.41
GLA P06280 2/20 0.40
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40

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
SCHEMBL4249310 0.85 ALDH1A1 (0.50) POLBALDH1A1HTTHPGDALOX15
SCHEMBL28277828 0.83 ALDH1A1 (0.45) POLBALDH1A1MEN1KMT2ARAB9A
SCHEMBL28281091 0.82 AKR1C3 (0.50) POLBALDH1A1RAB9ANPC1HPGD
SCHEMBL28286413 0.81 MEN1 (0.45) POLBALDH1A1MEN1KMT2AHSD17B10
SCHEMBL28286414 0.81 CSNK2A1 (0.49) POLBALDH1A1MEN1KMT2AHSD17B10
SCHEMBL11347335 0.80 RXFP1 (0.47) ALDH1A1MEN1KMT2ARAB9AHTT
SCHEMBL18158039 0.79 ALDH1A1 (0.56) POLBALDH1A1HTTHPGDALOX15
SCHEMBL6120416 0.79 TSHR (0.44) POLBALDH1A1MEN1KMT2ARAB9A
SCHEMBL6875951 0.77 ACHE (0.41) ALDH1A1RAB9ANPC1JAK2HTT
SCHEMBL13367468 0.76 CSF1R (0.45) HSD17B1HSD17B2MAPK13MAPK12MAPK11

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-109516963-B Method for preparing 1, 2-dihydro- (4H) -3, 1-benzoxazine-4-one compound 上海交通大学 2022-07-01 CN claimed
CN-109516963-B Method for preparing 1, 2-dihydro- (4H) -3, 1-benzoxazine-4-one compound 上海交通大学 2022-07-01 CN disclosed