SCHEMBL27876809

SCHEMBL27876809

B.Nc1c(Br)cc(Br)cc1CO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.46
SLC6A4 P31645 2/20 0.46
KCNH2 Q12809 2/20 0.46
LMNA P02545 2/20 0.46
CYP1A2 P05177 2/20 0.46
HIF1A Q16665 2/20 0.46
GBA1 P04062 1/20 0.46
CNR1 P21554 1/20 0.46
TBXA2R P21731 1/20 0.46
HRH2 P25021 1/20 0.46
CYP3A4 P08684 3/20 0.45
TSHR P16473 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
ALOX15 P16050 1/20 0.45
ABCB11 O95342 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
AR P10275 1/20 0.42
SLC6A2 P23975 1/20 0.42
PDE4A P27815 1/20 0.42
SLC6A3 Q01959 1/20 0.42

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
SCHEMBL29414354 0.98 CYP2D6 (0.47) CYP2D6SLC6A4KCNH2LMNACYP1A2
SCHEMBL9956000 0.98 CYP2D6 (0.47) CYP2D6SLC6A4KCNH2LMNACYP1A2
SCHEMBL27837496 0.81 CYP2D6 (0.45) CYP2D6SLC6A4KCNH2LMNACYP1A2
SCHEMBL27996378 0.77 CYP2D6 (0.45) CYP2D6SLC6A4KCNH2LMNACYP1A2
SCHEMBL5624162 0.77 CYP2D6 (0.45) CYP2D6SLC6A4KCNH2LMNACYP1A2
SCHEMBL18613064 0.77 LMNA (0.32) CYP2D6SLC6A4KCNH2LMNACYP1A2
SCHEMBL1570736 0.77 CYP3A4 (0.36) CYP2D6SLC6A4KCNH2LMNACYP1A2
SCHEMBL1571123 0.77 ADRB2 (0.35) CYP2D6SLC6A4KCNH2LMNACYP1A2
SCHEMBL19018914 0.77 ALDH1A1 (0.36) CYP2D6SLC6A4KCNH2LMNACYP1A2
SCHEMBL31180357 0.77 CYP3A4 (0.36) CYP2D6SLC6A4KCNH2LMNACYP1A2

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
CN-102531922-B Preparation method for bromhexine hydrochloride CHEN XUEFENG 2013-10-30 CN claimed
CN-102531922-A Novel preparation method for bromhexine hydrochloride XUEFENG CHEN 2012-07-04 CN claimed
CN-102531922-B Preparation method for bromhexine hydrochloride CHEN XUEFENG 2013-10-30 CN disclosed
CN-102531922-A Novel preparation method for bromhexine hydrochloride XUEFENG CHEN 2012-07-04 CN disclosed