SCHEMBL13679559

SCHEMBL13679559

Cc1ccc(NC(=O)c2cccnc2)cc1-c1nc2ccccc2[nH]1

nearest known ligand 0.78

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.78
▸ KMT2A Q03164 2/20 0.78
▸ HTT P42858 1/20 0.78
▸ RAB9A P51151 3/20 0.60
▸ HPSE Q9Y251 1/20 0.57
▸ ADORA2A P29274 1/20 0.56
▸ MAPT P10636 2/20 0.55
▸ LDLR P01130 1/20 0.55
▸ NPC1 O15118 2/20 0.54
▸ ALDH1A1 P00352 2/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ MMP2 P08253 2/20 0.54
▸ MMP9 P14780 2/20 0.54
▸ MMP8 P22894 2/20 0.54
▸ MMP13 P45452 2/20 0.54
▸ COMT P21964 1/20 0.53
▸ STK33 Q9BYT3 1/20 0.53
▸ TP53 P04637 1/20 0.52
▸ GFER P55789 1/20 0.52

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
SCHEMBL14642412 0.88 MEN1 (1.00) MEN1KMT2AHTTRAB9AADORA2A
SCHEMBL13679573 0.83 ADORA2A (0.57) MEN1KMT2AHTTRAB9AHPSE
SCHEMBL13679607 0.82 MEN1 (0.70) MEN1KMT2AHTTRAB9AMAPT
SCHEMBL12351223 0.82 COMT (0.79) MEN1KMT2AHTTRAB9AMAPT
SCHEMBL13679715 0.82 MAPT (0.69) MEN1KMT2ARAB9AADORA2AMAPT
SCHEMBL14642491 0.81 MEN1 (0.77) MEN1KMT2AHTTRAB9AMAPT
SCHEMBL13679540 0.81 RAF1 (0.59) MEN1KMT2AHTTRAB9AHPSE
SCHEMBL13679714 0.80 MEN1 (0.85) MEN1KMT2AHTTRAB9AMAPT
SCHEMBL13679583 0.79 MAPT (0.80) MEN1KMT2AHTTRAB9AADORA2A
SCHEMBL14615300 0.79 MAPT (0.71) MEN1KMT2AHTTRAB9AADORA2A

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 3 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
EP-1482928-B1 MEDIATORS OF HEDGEHOG SIGNALING PATHWAYS,COMPOSITIONS AND USES RELATED THERETO CURIS INC (US) 2009-09-23 — — EP disclosed
Send feedback