SCHEMBL14642437

SCHEMBL14642437

S=C(Nc1ccc2c(c1)OCCO2)Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.66
MAPT P10636 4/20 0.66
MEN1 O00255 4/20 0.66
KMT2A Q03164 4/20 0.66
HTT P42858 3/20 0.66
KDM4E B2RXH2 3/20 0.66
NRP1 O14786 1/20 0.56
USP2 O75604 2/20 0.54
TP53 P04637 2/20 0.54
RXFP1 Q9HBX9 1/20 0.54
RAB9A P51151 3/20 0.52
NPC1 O15118 2/20 0.52
MAPK1 P28482 2/20 0.52
LMNA P02545 1/20 0.51
TSHR P16473 1/20 0.51

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
SCHEMBL13679712 0.94 ALDH1A1 (0.75) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL14615273 0.85 MAPT (0.89) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL14642400 0.85 TP53 (0.62) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL13679713 0.85 TP53 (0.62) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL13679598 0.84 TP53 (0.61) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL13679613 0.82 TP53 (0.64) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL14642446 0.81 TP53 (0.60) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL14615284 0.80 MAPT (1.00) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL13679615 0.80 MEN1 (0.70) ALDH1A1MAPTMEN1KMT2AHTT
SCHEMBL14642401 0.80 TP53 (0.58) ALDH1A1MAPTMEN1KMT2AHTT

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
US-8772275-B2 Mediators of hedgehog signaling pathways, compositions and uses related thereto CURIS, INC. (US) 2014-07-08 US disclosed
US-8354397-B2 Controlling cell differentiation, cell proliferation; anticancer agents CURIS, INC. (US) 2013-01-15 US disclosed