SCHEMBL5769418

SCHEMBL5769418

COC(=O)Oc1[nH]c2cc(C)ccc2c1C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.41
KIF11 P52732 2/20 0.38
MAPT P10636 3/20 0.37
KDM4E B2RXH2 2/20 0.37
MITF O75030 1/20 0.37
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36
TUBB8 Q3ZCM7 1/20 0.36
TUBA3E Q6PEY2 1/20 0.36
TUBA1A Q71U36 1/20 0.36
TUBA1C Q9BQE3 1/20 0.36
TUBB6 Q9BUF5 1/20 0.36
TUBB2B Q9BVA1 1/20 0.36
TUBB1 Q9H4B7 1/20 0.36

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
SCHEMBL5768460 0.90 PFKFB1 (0.41) NR4A2MAPTKDM4EMEN1ALDH1A1
SCHEMBL5766861 0.86 KDM4E (0.46) MAPTKDM4ETUBB1MEN1ALDH1A1
SCHEMBL10193365 0.73 KIF11 (0.48) KIF11MAPTKDM4EMITFMEN1
SCHEMBL5771929 0.72 NR4A2 (0.42) NR4A2MAPTKDM4EMEN1ALDH1A1
SCHEMBL11152136 0.71 MEN1 (0.46) NR4A2MAPTKDM4EMEN1ALDH1A1
SCHEMBL5767967 0.70 ALDH1A1 (0.44) MAPTKDM4EALDH1A1RXFP1
SCHEMBL23885618 0.69 USP20 (0.51) KIF11MAPTKDM4EMEN1ALDH1A1
SCHEMBL359150 0.68 KDM5A (0.57) MAPTKDM4EMEN1ALDH1A1KMT2A
SCHEMBL31081242 0.66 HPGD (0.42) NR4A2MAPTKDM4E
SCHEMBL31081033 0.66 HPGD (0.42) NR4A2MAPTKDM4E

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
EP-1625129-A1 HETEROCYCLYL-SUBSTITUTED DIHYDROQUINAZOLINES AND USE THEREOF AS AN ANTIVIRAL AGENT Bayer HealthCare AG (DE) 2006-02-15 EP disclosed
WO-2004099212-A1 HETEROCYCLYL-SUBSTITUTED DIHYDROQUINAZOLINES AND USE THEREOF AS AN ANTIVIRAL AGENT BAYER HEALTHCARE AG (DE) 2004-11-18 WO disclosed