SCHEMBL8089897

SCHEMBL8089897

O=C(CSc1ccnc2ccccc12)c1ccc(NCc2ccccc2)c(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 7/20 0.50
HDAC1 Q13547 4/20 0.44
HDAC8 Q9BY41 4/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
POLB P06746 3/20 0.40
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RPS6KB1 P23443 1/20 0.39
KDM4E B2RXH2 5/20 0.39
NSD2 O96028 2/20 0.39
PKM P14618 1/20 0.39
PRNP P04156 1/20 0.39

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
SCHEMBL8084838 0.85 HTR1A (0.40) HDAC6POLBKMT2AKDM4ENSD2
SCHEMBL8076734 0.83 HDAC6 (0.47) HDAC6HDAC1HDAC8HDAC3HDAC4
SCHEMBL8084836 0.75 ALDH1A1 (0.54) POLBKMT2AL3MBTL1KDM4ENSD2
SCHEMBL8090035 0.74 SMN1; SMN2 (0.54) L3MBTL1GAAMAPTALDH1A1HPGD
SCHEMBL8088268 0.74 HSD17B10 (0.50) POLBKMT2AL3MBTL1KDM4EPRNP
SCHEMBL8084075 0.73 NR4A2 (0.52) CYP1A2
SCHEMBL8088233 0.73 RAB9A (0.42) KMT2APKMMAPTALDH1A1HPGD
SCHEMBL8084757 0.72 ALDH1A1 (0.49) POLBKMT2AL3MBTL1KDM4EPRNP
SCHEMBL1147520 0.70 KDM4E (0.65) POLBKMT2AKDM4EPRNPRXFP1
SCHEMBL8084786 0.70 GCGR (0.59) POLBKMT2AL3MBTL1KDM4ENSD2

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-6057447-A BACTERICIDES FOR CAMPYLOBACTER ZENYAKU KOGYO KABUSHIKI KAISHA (JP) 2000-05-02 US disclosed
EP-0926139-A1 QUINOLINE SULFIDE DERIVATIVES ZENYAKU KOGYO KABUSHIKIKAISHA (JP) 1999-06-30 EP disclosed