SCHEMBL8921686

SCHEMBL8921686

O=C(Nc1ccc(C#CC2C(O)C3CCN2CC3)cc1)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.38
RAB9A P51151 3/20 0.38
KMT2A Q03164 3/20 0.38
NPC1 O15118 2/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
EPHX2 P34913 2/20 0.36
EPHX1 P07099 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
CASP3 P42574 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL8920052 0.84 KMT2A (0.53) MEN1RAB9AKMT2ANPC1SMN1; SMN2
SCHEMBL8921220 0.76 MCHR1 (0.30)
SCHEMBL8707234 0.75 HRH3 (0.37) KDM4EPTPN1
SCHEMBL8712010 0.73 CYP1A1 (0.38) MEN1RAB9AKMT2ANPC1SMN1; SMN2
SCHEMBL8705669 0.68 ACACB (0.39) KMT2AMAPTLMNAALDH1A1
SCHEMBL8772744 0.68 MMP13 (0.56)
SCHEMBL10584963 0.67 CA12 (0.54) MEN1RAB9AKMT2ANPC1CA12
SCHEMBL8574139 0.66 CHRNA7 (0.50) CYP2C19CYP1A2CYP2C9
SCHEMBL8421972 0.66 ACACB (0.38)
SCHEMBL5785443 0.65 HDAC1 (0.69) MEN1RAB9AKMT2ANPC1CA12

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-5691349-A ANTICHOLESTEROL AGENTS; ATHEROSCLEROSIS ZENECA LIMITED (GB) 1997-11-25 US disclosed