SCHEMBL9923972

SCHEMBL9923972

C=C(C)c1cc(Oc2ccc(N)cn2)ccc1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.53
POLB P06746 2/20 0.53
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
ALDH1A1 P00352 1/20 0.52
BRCA1 P38398 1/20 0.52
HBB P68871 1/20 0.52
HSD17B10 Q99714 1/20 0.52
RAB9A P51151 2/20 0.50
KEAP1 Q14145 1/20 0.40
HDAC3 O15379 3/20 0.35
BRAF P15056 3/20 0.35
HDAC4 P56524 3/20 0.35
HDAC1 Q13547 3/20 0.35
HDAC7 Q8WUI4 3/20 0.35
HDAC2 Q92769 3/20 0.35
HDAC10 Q969S8 3/20 0.35
HDAC11 Q96DB2 3/20 0.35
HDAC8 Q9BY41 3/20 0.35
HDAC6 Q9UBN7 3/20 0.35

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
SCHEMBL1978329 0.83 KDM4E (0.48) KDM4EPOLBMEN1KMT2AALDH1A1
SCHEMBL5342115 0.79 KDM4E (0.62) KDM4EPOLBMEN1KMT2AALDH1A1
SCHEMBL12594101 0.75 KDM4E (0.64) KDM4EPOLBMEN1KMT2AALDH1A1
SCHEMBL12594177 0.74 KDM4E (0.56) KDM4EPOLBMEN1KMT2AALDH1A1
SCHEMBL6178269 0.74 KDM4E (0.63) KDM4EPOLBMEN1KMT2AALDH1A1
SCHEMBL20931746 0.73 KDM4E (0.79) KDM4EPOLBMEN1KMT2AALDH1A1
SCHEMBL22281530 0.72 NOS2 (0.54) KDM4EMEN1KMT2AALDH1A1RAB9A
SCHEMBL6418163 0.71 KMT2A (0.52) KDM4EPOLBMEN1KMT2AALDH1A1
SCHEMBL22548629 0.71 KDM4E (0.55) KDM4EPOLBMEN1KMT2AALDH1A1
SCHEMBL6178262 0.71 KDM4E (0.59) KDM4EPOLBMEN1KMT2AALDH1A1

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
WO-2012076877-A1 HYDANTOIN DERIVATIVES USEFUL AS KV3 INHIBITORS AUTIFONY THERAPEUTICS LIMITED (GB) 2012-06-14 WO disclosed