SCHEMBL28572686

SCHEMBL28572686

Nc1ccc(Oc2ccc(O)cc2)c(I)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR5 O14804 1/20 0.65
TAAR1 Q96RJ0 1/20 0.65
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ESR1 P03372 1/20 0.45
ESR2 Q92731 1/20 0.45
ALDH1A1 P00352 2/20 0.41
CYP3A4 P08684 2/20 0.41
CA3 P07451 1/20 0.41
THRB P10828 1/20 0.41
ALOX15 P16050 1/20 0.41
CA6 P23280 1/20 0.41
CASP1 P29466 1/20 0.41
HIF1A Q16665 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CA14 Q9ULX7 1/20 0.41
PCNA P12004 2/20 0.40
LIG1 P18858 1/20 0.40
TSHR P16473 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL7024360 0.81 ALDH1A1 (0.50) TAAR5TAAR1MEN1KMT2AESR1
SCHEMBL2941282 0.81 MEN1 (0.48) TAAR5TAAR1MEN1KMT2AESR1
SCHEMBL359453 0.79 TAAR1 (1.00) TAAR5TAAR1MEN1KMT2AALDH1A1
SCHEMBL29374539 0.79 TAAR1 (1.00) TAAR5TAAR1MEN1KMT2AALDH1A1
SCHEMBL10703684 0.79 PDE7A (0.53) TAAR5TAAR1MEN1KMT2AESR1
SCHEMBL13683235 0.79 PDE10A (0.47) TAAR5TAAR1MEN1KMT2AESR1
SCHEMBL6049180 0.78 TAAR5 (0.42) TAAR5TAAR1ALDH1A1CYP3A4ALOX15
SCHEMBL7020062 0.77 ALDH1A1 (0.46) TAAR5TAAR1MEN1KMT2AESR1
SCHEMBL20472303 0.77 LTA4H (0.50) TAAR5TAAR1MEN1KMT2AESR1
SCHEMBL13886676 0.77 TAAR5 (0.79) TAAR5TAAR1MEN1KMT2APCNA

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
CN-112822948-A TAAR receptor agonists for the treatment of alopecia 应用生物学公司 2021-05-18 CN claimed
CN-112822948-A TAAR receptor agonists for the treatment of alopecia 应用生物学公司 2021-05-18 CN disclosed