SCHEMBL11534635

SCHEMBL11534635

O=C(CCc1ccccn1)OCCCc1ccccn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.55
CYP1A2 P05177 2/20 0.55
CYP2C19 P33261 1/20 0.55
NAAA Q02083 1/20 0.52
TDP1 Q9NUW8 1/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA9 Q16790 1/20 0.48
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
HRH1 P35367 2/20 0.46
FKBP1A P62942 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL11531289 0.95 NAAA (0.53) SMN1; SMN2CYP1A2CYP2C19NAAATDP1
SCHEMBL11532136 0.94 TDP1 (0.55) SMN1; SMN2CYP1A2CYP2C19NAAATDP1
SCHEMBL11532390 0.90 CA12 (0.58) SMN1; SMN2CYP1A2CYP2C19NAAATDP1
Ethylene Glycol SCHEMBL11535308 0.89 TDP1 (0.50) SMN1; SMN2CYP1A2CYP2C19NAAATDP1
SCHEMBL11535311 0.88 TDP1 (0.49) SMN1; SMN2CYP1A2CYP2C19NAAATDP1
SCHEMBL27782025 0.86 HRH1 (0.54) SMN1; SMN2CYP1A2CYP2C19NAAATDP1
SCHEMBL11036318 0.83 LMNA (0.58) SMN1; SMN2CYP1A2CYP2C19NAAATDP1
SCHEMBL2960766 0.83 CYP1A2 (0.53) SMN1; SMN2CYP1A2CYP2C19NAAATDP1
SCHEMBL4341122 0.83 LMNA (0.57) SMN1; SMN2CYP1A2CYP2C19TDP1CA12
SCHEMBL11769016 0.82 CYP1A2 (0.54) SMN1; SMN2CYP1A2CYP2C19TDP1CA12

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-4153795-A Cobalt pyridyl catalysts for hydroformylation DIRECTOR-GENERAL OF THE AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 1979-05-08 US claimed
US-4153795-A Cobalt pyridyl catalysts for hydroformylation DIRECTOR-GENERAL OF THE AGENCY OF INDUSTRIAL SCIENCE AND TECHNOLOGY (JP) 1979-05-08 US disclosed