SCHEMBL14642414

SCHEMBL14642414

CCOc1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1-c1nc2cc(C#N)ccc2[nH]1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 12/20 0.55
▸ KMT2A Q03164 7/20 0.55
▸ MEN1 O00255 6/20 0.55
▸ KDM4E B2RXH2 4/20 0.55
▸ ALDH1A1 P00352 3/20 0.55
▸ HTT P42858 1/20 0.55
▸ RAB9A P51151 10/20 0.51
▸ POLB P06746 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ LMNA P02545 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ SMN1; SMN2 Q16637 7/20 0.47
▸ NPC1 O15118 7/20 0.47
▸ TP53 P04637 3/20 0.47
▸ GAA P10253 1/20 0.47
▸ CASP1 P29466 1/20 0.47
▸ TSHR P16473 1/20 0.46

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
SCHEMBL14642413 0.84 MAPT (0.49) MAPTKMT2AMEN1RAB9ALMNA
SCHEMBL14615308 0.76 MAPT (0.65) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL13679583 0.73 MAPT (0.80) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL14615284 0.72 MAPT (1.00) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL13679564 0.70 MAPT (0.70) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL14642409 0.69 MAPT (0.53) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL13679566 0.69 MAPT (0.73) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL14615300 0.68 MAPT (0.71) MAPTKMT2AMEN1KDM4EALDH1A1
SCHEMBL8770496 0.68 HPSE (0.61) MAPTKMT2AMEN1KDM4ERAB9A
SCHEMBL4410984 0.68 KDM4E (1.00) MAPTKMT2AMEN1KDM4EALDH1A1

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
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