SCHEMBL14230075

SCHEMBL14230075

Oc1ccc(Oc2ccc(CCNCl)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 2/20 0.52
▸ ESR2 Q92731 2/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ CALM1 P0DP23 1/20 0.50
▸ TMEM97 Q5BJF2 1/20 0.50
▸ SIGMAR1 Q99720 1/20 0.50
▸ ADRB2 P07550 1/20 0.46
▸ ADRB1 P08588 1/20 0.46
▸ ADRB3 P13945 1/20 0.46
▸ LTA4H P09960 3/20 0.45
▸ BCHE P06276 1/20 0.45
▸ NR1H2 P55055 1/20 0.45
▸ BAX Q07812 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ F13A1 P00488 1/20 0.44
▸ IGF1R P08069 1/20 0.43
▸ ALOX15 P16050 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
SCHEMBL15701213 0.88 TMEM97 (0.61) ESR1ESR2KMT2ATMEM97SIGMAR1
SCHEMBL15684799 0.83 LTA4H (0.54) LTA4HBCHEIGF1RALOX15
SCHEMBL12804316 0.82 ESR1 (0.70) ESR1ESR2MEN1KMT2ACALM1
SCHEMBL579569 0.81 TMEM97 (0.78) ESR1ESR2MEN1KMT2ACALM1
SCHEMBL14230053 0.80 PPARG (0.39) MEN1KMT2ALTA4HIGF1RALOX15
SCHEMBL14230065 0.80 TAAR5 (0.68) —
SCHEMBL14230070 0.79 PCNA (0.62) —
SCHEMBL14230076 0.79 THRB (0.46) MEN1KMT2AADRB2IGF1RALOX15
SCHEMBL15684887 0.79 CARM1 (0.45) ADRB1ADRB3LTA4HBCHE
SCHEMBL15684990 0.77 LTA4H (0.56) MEN1KMT2ALTA4H

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-7355079-B2 Thyronamine derivatives and analogs and methods of use thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-04-08 — — US disclosed
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