SCHEMBL14642412

SCHEMBL14642412

O=C(Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1)c1cccnc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 1.00
▸ HTT P42858 2/20 1.00
▸ KMT2A Q03164 2/20 1.00
▸ MAPT P10636 3/20 0.68
▸ KDM4E B2RXH2 1/20 0.65
▸ ALDH1A1 P00352 1/20 0.65
▸ TP53 P04637 2/20 0.60
▸ RXFP1 Q9HBX9 1/20 0.60
▸ NPC1 O15118 1/20 0.60
▸ RAB9A P51151 1/20 0.60
▸ ADORA2A P29274 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
SCHEMBL13679714 0.92 MEN1 (0.85) MEN1HTTKMT2AMAPTKDM4E
SCHEMBL14642442 0.89 MEN1 (0.79) MEN1HTTKMT2AMAPTKDM4E
SCHEMBL13679559 0.88 MEN1 (0.78) MEN1HTTKMT2AMAPTALDH1A1
SCHEMBL14642491 0.87 MEN1 (0.77) MEN1HTTKMT2AMAPTKDM4E
SCHEMBL14642445 0.86 MEN1 (0.75) MEN1HTTKMT2AMAPTKDM4E
SCHEMBL13679623 0.86 MEN1 (0.75) MEN1HTTKMT2AMAPTKDM4E
SCHEMBL15557427 0.86 MEN1 (0.75) MEN1HTTKMT2AMAPTKDM4E
SCHEMBL13679611 0.85 MEN1 (0.74) MEN1HTTKMT2AMAPTKDM4E
SCHEMBL15424138 0.84 MAPT (0.75) MEN1HTTKMT2AMAPTKDM4E
SCHEMBL15424140 0.84 MEN1 (0.73) MEN1HTTKMT2AMAPTKDM4E

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
Send feedback