SCHEMBL9768431

SCHEMBL9768431

O=c1[nH]c2ccccc2c2oc3ccccc3c12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K11 Q16584 2/20 0.49
MAP3K9 P80192 1/20 0.49
KDM4E B2RXH2 9/20 0.48
ALDH1A1 P00352 8/20 0.48
LMNA P02545 3/20 0.48
HSD17B10 Q99714 3/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
PARP1 P09874 2/20 0.48
TNKS O95271 1/20 0.48
CYP1A2 P05177 1/20 0.48
GPR3 P46089 1/20 0.48
BLM P54132 1/20 0.48
PMP22 Q01453 1/20 0.48
PARP15 Q460N3 1/20 0.48
TNKS2 Q9H2K2 1/20 0.48
CHEK1 O14757 2/20 0.46
MAPT P10636 3/20 0.46
IDE P14735 1/20 0.44
MPI P34949 1/20 0.44

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
SCHEMBL29755033 0.90 KDM5A (0.51) MAP3K11MAP3K9KDM4EALDH1A1LMNA
SCHEMBL11768528 0.90 KDM5A (0.51) MAP3K11MAP3K9KDM4EALDH1A1LMNA
SCHEMBL9781515 0.84 CDK5 (0.64) KDM4EALDH1A1LMNAMEN1KMT2A
SCHEMBL9768422 0.84 CDK5 (0.50) KDM4EALDH1A1LMNAHSD17B10MEN1
SCHEMBL7252779 0.79 MEN1 (0.55) MEN1KMT2APARP1MAPTCA12
SCHEMBL10614432 0.77 ALDH1A1 (0.45) KDM4EALDH1A1LMNAHSD17B10MEN1
SCHEMBL9781494 0.76 CA12 (0.45) KDM4EALDH1A1LMNAHSD17B10MEN1
SCHEMBL10338976 0.76 ALDH1A1 (0.41) KDM4EALDH1A1LMNAHSD17B10MEN1
SCHEMBL16049927 0.75 MAP3K11 (0.51) MAP3K11MAP3K9MEN1KMT2ACHEK1
SCHEMBL17465511 0.75 MAP3K11 (0.51) MAP3K11MAP3K9ALDH1A1HSD17B10MEN1

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
US-5073553-A Treatment or prevention of osteoporosis KISSEI PHARMACEUTICAL CO., LTD. (JP) 1991-12-17 US disclosed