SCHEMBL13679573

SCHEMBL13679573

Cc1ccc(NC(=O)c2ccnc(O)c2)cc1-c1nc2ccccc2[nH]1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.57
▸ MEN1 O00255 3/20 0.55
▸ KMT2A Q03164 3/20 0.55
▸ HTT P42858 2/20 0.55
▸ MAPT P10636 3/20 0.55
▸ LDLR P01130 1/20 0.54
▸ CHEK1 O14757 1/20 0.53
▸ KDM4E B2RXH2 2/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ HPSE Q9Y251 1/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ THRB P10828 1/20 0.51
▸ RECQL P46063 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ ATM Q13315 1/20 0.51
▸ DGAT1 O75907 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
SCHEMBL13679559 0.83 MEN1 (0.78) ADORA2AMEN1KMT2AHTTMAPT
SCHEMBL13679715 0.81 MAPT (0.69) ADORA2AMEN1KMT2AMAPTRAB9A
SCHEMBL13679540 0.80 RAF1 (0.59) ADORA2AMEN1KMT2AHTTMAPT
SCHEMBL14615300 0.80 MAPT (0.71) ADORA2AMEN1KMT2AHTTMAPT
SCHEMBL13679583 0.80 MAPT (0.80) ADORA2AMEN1KMT2AHTTMAPT
SCHEMBL14615299 0.79 MAPT (0.66) MEN1KMT2AHTTMAPTKDM4E
SCHEMBL13456646 0.79 MAPT (0.58) ADORA2AMEN1KMT2AHTTMAPT
SCHEMBL14642443 0.79 MEN1 (0.72) ADORA2AMEN1KMT2AHTTMAPT
SCHEMBL13679606 0.75 MAPT (0.66) MEN1KMT2AMAPTLDLRKDM4E
SCHEMBL13679620 0.75 LDLR (0.65) MAPTLDLRKDM4EALDH1A1NPC1

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