SCHEMBL11614223

SCHEMBL11614223

CCOC(=O)c1cc(=O)c2cc(OCC)c(=O)ccc2n1CC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.47
▸ POLB P06746 3/20 0.47
▸ PKM P14618 1/20 0.47
▸ ALDH1A1 P00352 6/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ RAB9A P51151 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ PPARG P37231 1/20 0.39
▸ NCOA2 Q15596 1/20 0.39
▸ NCOA1 Q15788 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HPGD P15428 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ NOD2 Q9HC29 1/20 0.38
▸ NOD1 Q9Y239 1/20 0.38

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
SCHEMBL11618545 0.88 KDM4E (0.61) KDM4EPOLBPKMALDH1A1SMN1; SMN2
SCHEMBL11621562 0.85 ALDH1A1 (0.48) KDM4EPOLBPKMALDH1A1SMN1; SMN2
SCHEMBL11617074 0.84 ALDH1A1 (0.47) KDM4EPOLBPKMALDH1A1SMN1; SMN2
SCHEMBL11616091 0.83 TSHR (0.50) KDM4EPOLBALDH1A1SMN1; SMN2RAB9A
SCHEMBL11616243 0.81 RAB9A (0.40) KDM4EALDH1A1SMN1; SMN2RAB9ALMNA
SCHEMBL11616560 0.81 KDM4E (0.36) KDM4EPOLBPKMALDH1A1SMN1; SMN2
SCHEMBL11615852 0.80 ALDH1A1 (0.37) KDM4EPOLBPKMALDH1A1SMN1; SMN2
SCHEMBL11617162 0.80 KDM4E (0.39) KDM4EPOLBPKMALDH1A1SMN1; SMN2
SCHEMBL11617163 0.80 KDM4E (0.39) KDM4EPOLBPKMALDH1A1SMN1; SMN2
SCHEMBL11615457 0.79 RAB9A (0.41) KDM4EPOLBPKMALDH1A1SMN1; SMN2

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
US-4130649-A Cyclohepta [B]pyridine-2-carboxylic acid derivatives AYERST, MCKENNA & HARRISON LIMITED (CA) 1978-12-19 — — US claimed
US-4130649-A Cyclohepta [B]pyridine-2-carboxylic acid derivatives AYERST, MCKENNA & HARRISON LIMITED (CA) 1978-12-19 — — US disclosed
Send feedback