SCHEMBL17148308

SCHEMBL17148308

O=C(Nc1ccc(NC(=O)c2nc[nH]c2C(=O)NCCN2CCC2)cc1)c1ccc(F)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.48
▸ EPHX2 P34913 3/20 0.46
▸ LMNA P02545 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ MAPT P10636 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ KIT P10721 1/20 0.42
▸ BCL3 P20749 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ HTR1F P30939 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ GRM4 Q14833 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ CNR1 P21554 1/20 0.40

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
SCHEMBL17142435 0.98 EPHX2 (0.48) KMT2AEPHX2LMNAPOLBMAPT
SCHEMBL17142872 0.97 EPHX2 (0.47) KMT2AEPHX2LMNAPOLBMAPT
SCHEMBL17148153 0.94 EPHX2 (0.49) KMT2AEPHX2LMNAPOLBMAPT
SCHEMBL17142947 0.93 KMT2A (0.46) KMT2AEPHX2LMNAPOLBMAPT
SCHEMBL17142605 0.93 KMT2A (0.48) KMT2ALMNAPOLBMAPTKDM4E
SCHEMBL17142411 0.92 NAMPT (0.47) KMT2AEPHX2LMNAPOLBMAPT
SCHEMBL17143178 0.92 KMT2A (0.46) KMT2AEPHX2LMNAPOLBMAPT
SCHEMBL17143102 0.92 BCL3 (0.51) KMT2AEPHX2LMNAKDM4EBCL3
SCHEMBL17142414 0.92 KMT2A (0.46) KMT2AEPHX2LMNAPOLBMAPT
SCHEMBL17143136 0.92 KMT2A (0.45) KMT2AEPHX2LMNAPOLBMAPT

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-9884063-B2 Amido-substituted azole compounds BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-02-06 — — US disclosed
WO-2015150449-A2 AMIDO-SUBSTITUTED AZOLE COMPOUNDS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-10-08 — — WO disclosed
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