SCHEMBL17905850

SCHEMBL17905850

C1=C(c2ccc(-c3ccccn3)cc2)NC(c2ccccc2)NC1c1cc(-n2c3ccccc3c3ccccc32)cc(-n2c3ccccc3c3ccccc32)c1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 1/20 0.32
▸ METAP2 P50579 1/20 0.31
▸ NPY5R Q15761 1/20 0.31
▸ HDAC4 P56524 1/20 0.30
▸ TNKS O95271 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ ATM Q13315 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL17905848 0.88 HDAC4 (0.34) DHODHNPY5RHDAC4KDM4EATM
SCHEMBL27327549 0.82 KDM4E (0.38) HDAC4KDM4EATML3MBTL1
SCHEMBL17905892 0.81 HDAC4 (0.33) HDAC4KDM4EATML3MBTL1
SCHEMBL17905932 0.81 NPY5R (0.31) DHODHNPY5RHDAC4
SCHEMBL17905817 0.80 PRKCZ (0.37) —
SCHEMBL17905846 0.79 — —
SCHEMBL17905823 0.78 — —
SCHEMBL17691079 0.78 HDAC4 (0.45) HDAC4KDM4EATML3MBTL1
SCHEMBL22842171 0.78 HDAC4 (0.45) HDAC4KDM4EATML3MBTL1
SCHEMBL15137520 0.78 HDAC4 (0.45) HDAC4KDM4EATML3MBTL1

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-3040335-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE Idemitsu Kosan Co., Ltd (JP) 2016-07-06 — — EP disclosed
Send feedback