SCHEMBL11328266

SCHEMBL11328266

CCN(CC[N+](C)(C)C)c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 13/20 0.46
▸ MEN1 O00255 2/20 0.44
▸ HTT P42858 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ APOBEC3A P31941 1/20 0.44
▸ APOBEC3G Q9HC16 1/20 0.44
▸ CNR1 P21554 7/20 0.44
▸ MAPT P10636 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ PSMD14 O00487 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ GFER P55789 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL2881066 0.80 CNR2 (0.63) CNR2MEN1KMT2AKDM4ECNR1
Bromide SCHEMBL3182486 0.79 TSHR (0.50) CNR2MEN1HTTKMT2ACYP2D6
Hydrochloric Acid SCHEMBL10678547 0.79 TSHR (0.50) CNR2MEN1HTTKMT2AKDM4E
SCHEMBL11323561 0.77 ALDH1A1 (0.40) MEN1HTTKMT2AKDM4ECYP2D6
SCHEMBL10893564 0.77 CNR2 (0.49) CNR2MEN1HTTKMT2ACNR1
SCHEMBL6344469 0.76 CNR2 (0.59) CNR2MEN1KMT2AKDM4ECNR1
Trimethylammonium SCHEMBL6555079 0.76 CNR2 (0.59) CNR2MEN1KMT2AKDM4ECNR1
SCHEMBL10889974 0.74 KCNH2 (0.46) CNR2MEN1HTTKMT2AMAPT
Methane SCHEMBL10535102 0.74 CNR2 (0.58) CNR2MEN1KMT2AKDM4ECNR1
SCHEMBL7790003 0.71 CNR2 (0.46) CNR2CNR1MAPTPSMD14ALDH1A1

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-4256458-A DIMERIC PYRIDINIUM DYES BASF AKTIENGESELLSCHAFT (DE) 1981-03-17 — — US disclosed
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