SCHEMBL11245868

SCHEMBL11245868

CCCOc1ccc(C2(CCCBr)OCCCO2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 5/20 0.36
CYP1A2 P05177 2/20 0.36
MAPK1 P28482 2/20 0.36
HRH3 Q9Y5N1 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
HTR2A P28223 1/20 0.36
SCN1A P35498 1/20 0.36
HTR2B P41595 1/20 0.36
KCNH2 Q12809 1/20 0.36
SCN2A Q99250 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
SCN3A Q9NY46 1/20 0.36
LMNA P02545 2/20 0.35

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
SCHEMBL11234077 0.95 TSHR (0.41) TSHRMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL11234578 0.86 TSHR (0.39) TSHRMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL11249163 0.84 TSHR (0.44) TSHRMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL11247712 0.83 MAOB (0.37) ALDH1A1CYP2C19CA12CA1CA2
SCHEMBL9291563 0.81 RARB (0.46) TSHRMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL11252870 0.80 TSHR (0.36) TSHRMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL11234671 0.80 L3MBTL1 (0.38) TSHRMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL11243674 0.79 MAOB (0.33) L3MBTL1LMNA
SCHEMBL11246261 0.78 TSHR (0.43) TSHRMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL11250705 0.77 MAOB (0.39) KMT2AALDH1A1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0049565-A2 Derivatives of substituted N-alkylimidazoles, their preparation and pharmaceutical compositions containing them SYNTEX (U.S.A.) INC. (US) 1982-04-14 EP disclosed
US-4321272-A Derivatives of substituted N-alkylimidazoles SYNTEX (U.S.A.) INC. (US) 1982-03-23 US disclosed