SCHEMBL11026552

SCHEMBL11026552

Oc1ccc(Cl)c(NCc2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.60
HDAC8 Q9BY41 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
MAPT P10636 2/20 0.50
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 1/20 0.50
THRB P10828 1/20 0.50
ALOX12 P18054 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
IDO1 P14902 1/20 0.47
CISD1 Q9NZ45 1/20 0.45
HSD17B10 Q99714 2/20 0.44
MRGPRX4 Q96LA9 1/20 0.44
PKM P14618 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA3 P07451 1/20 0.42

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
SCHEMBL11510637 0.82 HDAC1 (0.59) HDAC1HDAC8HDAC6MEN1KMT2A
SCHEMBL11513224 0.82 KDM4E (0.68) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL2316630 0.81 HSD17B10 (0.59) HDAC1HDAC8HDAC6MEN1KMT2A
SCHEMBL11512059 0.79 MEN1 (0.62) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL2553849 0.76 HDAC8 (0.72) HDAC1HDAC8HDAC6MEN1KMT2A
SCHEMBL7237335 0.76 KDM4E (0.46) HDAC1HDAC8HDAC6MEN1KMT2A
SCHEMBL5511518 0.76 TDP1 (0.57) HDAC1HDAC8HDAC6MEN1KMT2A
SCHEMBL5700244 0.75 MRGPRX4 (0.66) HDAC1HDAC8HDAC6MEN1KMT2A
SCHEMBL20613056 0.74 MEN1 (0.61) MEN1KMT2AKDM4EALDH1A1L3MBTL1
SCHEMBL20613057 0.74 P2RX7 (0.39) HDAC1HDAC8HDAC6MEN1KMT2A

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-0033443-B1 AZO DYESTUFFS, THEIR PREPARATION AND USE IN DYEING SYNTHETIC FIBRES BAYER AG (DE) 1985-05-08 EP disclosed
EP-0033443-A1 Azo dyestuffs, their preparation and use in dyeing synthetic fibres BAYER AG (DE) 1981-08-12 EP disclosed