SCHEMBL7796231

SCHEMBL7796231

CCCOc1cc(OCCN2CCCC2)c(N)c2c1-c1c(OCCN3CCCC3)cccc1C2=O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
HTR2C P28335 3/20 0.43
POLB P06746 1/20 0.43
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ADORA2A P29274 2/20 0.41
ADORA1 P30542 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 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
SCHEMBL7795958 1.00 TDP1 (0.43) TDP1HTR2CPOLBKDM4ESMN1; SMN2
SCHEMBL7796218 0.99 HTR2C (0.44) TDP1HTR2CPOLBKDM4ESMN1; SMN2
SCHEMBL7796421 0.97 ALDH1A1 (0.45) TDP1HTR2CPOLBKDM4ESMN1; SMN2
SCHEMBL7792226 0.97 ALDH1A1 (0.45) TDP1HTR2CPOLBKDM4ESMN1; SMN2
SCHEMBL7795926 0.96 POLB (0.47) HTR2CPOLB
Hydrochloric Acid SCHEMBL7792164 0.95 POLB (0.46) HTR2CPOLB
SCHEMBL7796456 0.95 LTA4H (0.44) TDP1HTR2CPOLBKDM4ESMN1; SMN2
SCHEMBL7792361 0.95 CYP2D6 (0.44) KDM4ESMN1; SMN2ADORA2AADORA1CYP2D6
SCHEMBL7795918 0.94 LTA4H (0.44) TDP1HTR2CKDM4ESMN1; SMN2ADORA2A
SCHEMBL7792004 0.94 ALDH1A1 (0.45) KDM4ESMN1; SMN2ADORA2AADORA1CYP2D6

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
EP-0906268-B1 ALKYLOXYAMINO SUBSTITUTED FLUORENONES AND THEIR USE AS PROTEIN KINASE C INHIBITORS AVENTIS PHARMA INC (US) 2001-11-28 EP disclosed
US-6004959-A HYPOTENSIVE, ANTITUMOR, ANTIINFLAMMATORY AND ANTIASTHMATIC AGENTS; ANGIOGENESIS AND ALVEOLAR MACROPHAGE ACTIVATION INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1999-12-21 US disclosed