SCHEMBL8474108

SCHEMBL8474108

O=C(Oc1ccc2c(c1)CCN(C(=O)c1ccncc1)C2)c1ccccc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ ESR1 P03372 1/20 0.42
▸ ESR2 Q92731 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ MDM2 Q00987 1/20 0.42
▸ MTTP P55157 5/20 0.42
▸ LIPE Q05469 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ CA14 Q9ULX7 1/20 0.41
▸ CDK4 P11802 1/20 0.41
▸ CCND1 P24385 1/20 0.41
▸ KCNH2 Q12809 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
SCHEMBL8470206 0.89 PDE4B (0.42) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL8471802 0.86 ESR1 (0.49) KMT2AKDM4EALDH1A1LMNANPSR1
SCHEMBL8472683 0.85 MTTP (0.42) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL8473047 0.85 ALDH1A1 (0.43) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL8582518 0.83 ESR1 (0.44) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL8582957 0.83 ESR1 (0.44) KDM4EALDH1A1LMNANPSR1ESR1
SCHEMBL8472958 0.83 SMO (0.43) KDM4ELMNAESR1ESR2LIPE
SCHEMBL8471797 0.83 ESR1 (0.43) MEN1KMT2AKDM4EALDH1A1LMNA
SCHEMBL8470752 0.83 ESR1 (0.43) KDM4EALDH1A1LMNANPSR1ESR1
SCHEMBL8473577 0.83 HPGD (0.42) KDM4EALDH1A1LMNANPSR1ESR1

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-5919795-A ATHEROSCLEROSIS THERAPY PFIZER INC. (US) 1999-07-06 — — US disclosed
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