SCHEMBL16622755

SCHEMBL16622755

C=C(C)C(=O)NCc1ccc(NO)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.44
PTPN1 P18031 1/20 0.44
NPC1 O15118 2/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
KMT2A Q03164 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 6/20 0.40
RXFP1 Q9HBX9 1/20 0.40
EPHX2 P34913 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
MAPT P10636 2/20 0.39
RAB9A P51151 2/20 0.39
MEN1 O00255 2/20 0.39
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL731190 0.89 KMT2A (0.50) TP53PTPN1NPC1HDAC1HDAC6
SCHEMBL16622768 0.85 KDM4E (0.49) NPC1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL3869761 0.82 KDM4E (0.53) HDAC1HDAC6KMT2AHTTALDH1A1
SCHEMBL5024307 0.82 SMN1; SMN2 (0.56) TP53NPC1KMT2AL3MBTL1ALDH1A1
SCHEMBL21449080 0.82 L3MBTL1 (0.39) TP53PTPN1NPC1HDAC1HDAC6
SCHEMBL6415716 0.81 EPHX2 (0.50) HDAC1HDAC6KMT2AHTTALDH1A1
SCHEMBL202718 0.81 MEN1 (0.61) TP53NPC1KMT2AALDH1A1RAB9A
SCHEMBL19215206 0.81 CYP4F2 (0.47) HDAC1HDAC6KMT2AHTTALDH1A1
SCHEMBL183463 0.80 ALDH1A1 (0.59) PTPN1KMT2AL3MBTL1ALDH1A1EPHX2
SCHEMBL27973671 0.79 KMT2A (0.69) HDAC1HDAC6KMT2AALDH1A1EPHX2

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-2857459-A1 STABLE POLYMERIZABLE UV-ABSORBING COLORANT FOR INTRAOCULAR LENS Kowa Company Ltd. (JP) 2015-04-08 EP disclosed