SCHEMBL11358481

SCHEMBL11358481

O=[N+]([O-])c1ccc(CN2CCc3ccccc32)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
KDM4E B2RXH2 2/20 0.51
SIGMAR1 Q99720 4/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
SIRT2 Q8IXJ6 1/20 0.50
SIRT1 Q96EB6 1/20 0.50
USP2 O75604 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CDK4 P11802 1/20 0.50
ALOX15 P16050 1/20 0.50
CCND1 P24385 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
DRD2 P14416 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
HTR2B P41595 1/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48

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
SCHEMBL8177410 0.83 DRD2 (0.49) MAPTALDH1A1DRD2
SCHEMBL2769306 0.83 CASP1 (0.51) MAPTSMN1; SMN2ALDH1A1
SCHEMBL20776931 0.82 TSHR (0.49) MAPTSMN1; SMN2MEN1KMT2AUSP2
SCHEMBL3149701 0.81 KDM4E (0.63) MAPTSMN1; SMN2KDM4ESIGMAR1MEN1
SCHEMBL6644024 0.80 TRPM5 (0.45) MAPTSMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL29558 0.80 ALDH1A1 (0.66) MAPTKDM4EMEN1KMT2AUSP2
SCHEMBL29875634 0.80 ALDH1A1 (0.66) MAPTKDM4EMEN1KMT2AUSP2
SCHEMBL15524915 0.79 DRD4 (0.53) MAPTSMN1; SMN2KDM4ESIRT2ALDH1A1
SCHEMBL5782563 0.79 ALOX5 (0.50) KMT2AALDH1A1HDAC1HDAC6
SCHEMBL28567500 0.79 DRD4 (0.61) MAPTKDM4ESIGMAR1MEN1KMT2A

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-4251659-A Polyfluorohydroxyisopropyl-heterocyclic compounds E. I. DU PONT DE NEMOURS AND COMPANY (US) 1981-02-17 US disclosed