SCHEMBL6005591

SCHEMBL6005591

O=C(Nc1ccc(O)cc1)c1cc(Cl)ccc1Cl

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.69
JAK1 P23458 1/20 0.69
TYK2 P29597 1/20 0.69
ALDH1A1 P00352 4/20 0.67
LMNA P02545 2/20 0.67
POLB P06746 1/20 0.67
P2RX1 P51575 4/20 0.66
TAS1R3 Q7RTX0 1/20 0.63
TAS1R1 Q7RTX1 1/20 0.63
MEN1 O00255 1/20 0.63
KMT2A Q03164 1/20 0.63
HDAC8 Q9BY41 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
PKM P14618 1/20 0.61
RXFP1 Q9HBX9 1/20 0.61
TMPRSS4 Q9NRS4 5/20 0.58
KDM4E B2RXH2 1/20 0.58
GFER P55789 1/20 0.58
NPC1 O15118 1/20 0.56
HTT P42858 1/20 0.56

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
SCHEMBL29929613 0.93 JAK2 (0.78) JAK2JAK1TYK2ALDH1A1LMNA
SCHEMBL14228391 0.87 JAK2 (0.69) JAK2JAK1TYK2P2RX1MEN1
SCHEMBL30692659 0.87 P2RX1 (0.87) LMNAP2RX1MEN1KMT2ATMPRSS4
SCHEMBL24438716 0.87 P2RX1 (0.87) LMNAP2RX1MEN1KMT2ATMPRSS4
SCHEMBL11575341 0.85 ALDH1A1 (0.69) JAK2JAK1TYK2ALDH1A1LMNA
SCHEMBL10612716 0.85 TMPRSS4 (0.73) JAK2JAK1TYK2ALDH1A1LMNA
SCHEMBL20601659 0.84 HDAC8 (0.67) JAK2JAK1TYK2ALDH1A1LMNA
SCHEMBL7329845 0.84 HDAC8 (0.67) JAK2JAK1TYK2ALDH1A1LMNA
SCHEMBL5336489 0.83 SMN1; SMN2 (0.65) JAK2JAK1TYK2ALDH1A1LMNA
SCHEMBL11575433 0.81 ALDH1A1 (0.63) JAK2JAK1TYK2ALDH1A1LMNA

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
WO-2012054530-A2 CHEMOSENSORY RECEPTOR LIGAND-BASED THERAPIES ELCELYX THERAPEUTICS, INC. (US) 2012-04-26 WO disclosed