SCHEMBL3040650

SCHEMBL3040650

CCCCCC[n+]1ccc(N2CCC(C)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.50
TP53 P04637 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
MAPT P10636 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
KMT2A Q03164 1/20 0.50
HTT P42858 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
KDM4E B2RXH2 1/20 0.49
NPC1 O15118 1/20 0.49
LMNA P02545 1/20 0.49
RAB9A P51151 1/20 0.49
ABCB11 O95342 1/20 0.43
ESR1 P03372 1/20 0.43
PGR P06401 1/20 0.43
CHRM2 P08172 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43

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
Bromide SCHEMBL3040545 0.98 KMT2A (0.49) MEN1TP53CYP1A2CYP2D6MAPT
Bromide SCHEMBL15923364 0.82 CHKA (0.56) ACHE
Hydrochloric Acid SCHEMBL261263 0.81 SMN1; SMN2 (0.38) MEN1KMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL9833857 0.78 SMN1; SMN2 (0.38) SMN1; SMN2NPC1RAB9AACHE
Hydrochloric Acid SCHEMBL9676684 0.77 SMN1; SMN2 (0.37) SMN1; SMN2NPC1RAB9AACHE
Hydrochloric Acid SCHEMBL9172857 0.77 SMN1; SMN2 (0.37) MEN1MAPTKMT2ASMN1; SMN2KDM4E
SCHEMBL15211999 0.77 CHKA (0.56) ACHE
Hydrochloric Acid SCHEMBL8959777 0.76 GAA (0.40) MEN1MAPTKMT2ASMN1; SMN2KDM4E
Iodide SCHEMBL15212172 0.76 CHKA (0.54) HTTSMN1; SMN2KDM4ENPC1LMNA
Water SCHEMBL15212777 0.76 CHKA (0.54) ACHE

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
US-9839591-B2 Anionic dye or brightener bearing an ammonium or phosphonium counterion, dye composition comprising them and process for dyeing keratin fibres using these dyes L'OREAL (FR) 2017-12-12 US claimed
US-10544370-B2 Enhanced bitumen recovery, separation and water clarification process BAKER HUGHES, A GE COMPANY, LLC (US) 2020-01-28 US disclosed
US-20180044595-A1 ENHANCED BITUMEN RECOVERY, SEPARATION AND WATER CLARIFICATION PROCESS BAKER HUGHES, A GE COMPANY, LLC (US) 2018-02-15 US disclosed
US-7687513-B1 Aminopyridinium ionic liquids UNIVERSITY OF NOTRE DAME DU LAC (US) 2010-03-30 US disclosed