SCHEMBL11054686

SCHEMBL11054686

Cc1cc(I)cc(CNCCCN(C)C)c1O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TERT O14746 3/20 0.44
TSHR P16473 2/20 0.37
LMNA P02545 1/20 0.37
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
CHRM2 P08172 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
SLC6A4 P31645 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
PAOX Q6QHF9 1/20 0.33
DNM2 P50570 4/20 0.32

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
Hydrochloric Acid SCHEMBL9290749 0.85 CHRM2 (0.40) TERTLMNAKDM4ECHRM2PAOX
SCHEMBL8365305 0.82 CHRM2 (0.45) KDM4ECHRM2PAOX
SCHEMBL11078223 0.81 TERT (0.40) TERTTSHRLMNAKDM4ETDP1
SCHEMBL14276118 0.80 TERT (0.40) TERTTSHRLMNAKDM4EHTT
SCHEMBL2230538 0.77 TERT (0.49) TERTTSHRLMNAKDM4ETDP1
SCHEMBL2221150 0.77 SLC6A4 (0.34) TSHRKDM4EHTTTDP1SLC6A4
SCHEMBL15221101 0.76 TERT (0.43) TERTTSHRLMNAKDM4EHTT
Hydrochloric Acid SCHEMBL9290752 0.75 HDAC1 (0.37) LMNADPP7
Hydrochloric Acid SCHEMBL9290774 0.74 ACHE (0.37) LMNAKDM4ETDP1
Hydrochloric Acid SCHEMBL9290782 0.72 KMT2A (0.50) LMNAHTTPAOX

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-4430319-A DIAGNOSIS, ISOTOPE EXCHANGING, CONTAINERS, SODIUM PHOSPHATE BUFFERS STATE UNIVERSITY OF NEW YORK (US) 1984-02-07 US disclosed