SCHEMBL8039846

SCHEMBL8039846

CC(C)COCCN1CC[N]CC1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.31
KDM4E B2RXH2 2/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
HTT P42858 2/20 0.30

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
SCHEMBL19709244 0.82 KMT2A (0.42) KMT2AKDM4EALDH1A1HTT
SCHEMBL18874679 0.82 KMT2A (0.39) KMT2AKDM4EALDH1A1HTT
SCHEMBL20328741 0.80 ALDH1A1 (0.42) KMT2AKDM4EALDH1A1HPGD
SCHEMBL18735503 0.80 PSMB1 (0.45) KMT2AKDM4EALDH1A1HTT
SCHEMBL20231018 0.78 HSD11B1 (0.37) KMT2AKDM4EALDH1A1HPGDHTT
SCHEMBL1372895 0.78 HRH1 (0.38) KDM4EALDH1A1HTT
SCHEMBL8039848 0.77 SIGMAR1 (0.42) KMT2A
SCHEMBL20331224 0.77 MAOB (0.40)
SCHEMBL2608938 0.77 ALDH1A1 (0.47) KMT2AKDM4EALDH1A1HPGD
SCHEMBL26974931 0.77 KDM4E (0.34) KMT2AKDM4EALDH1A1HPGDHTT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0527051-B1 Quinophthalone dyes, ink composition and transfer sheet containing them MITSUI CHEMICALS INC (JP) 2000-03-22 EP disclosed
US-5387686-A Sublimable, yellow quinoline derivatives; storage stable; heat light, chemical resistant MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1995-02-07 US disclosed
US-5296445-A Quinoline dyes MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1994-03-22 US disclosed
EP-0527051-A1 Quinophthalone dyes, ink composition and transfer sheet containing them MITSUI TOATSU CHEMICALS, Inc. (JP) 1993-02-10 EP disclosed