SCHEMBL8076787

SCHEMBL8076787

CC(=O)c1ccccc1CNc1ccc(C(=O)CSc2ccnc3ccccc23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.40
BRAF P15056 2/20 0.40
HPGD P15428 2/20 0.39
KMT2A Q03164 5/20 0.39
MAPT P10636 4/20 0.39
MEN1 O00255 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MAOB P27338 1/20 0.38
DNMT1 P26358 1/20 0.38
DNMT3L Q9UJW3 1/20 0.38
DNMT3A Q9Y6K1 1/20 0.38
RAB9A P51151 3/20 0.38
POLB P06746 2/20 0.38
HTT P42858 2/20 0.38
NPC1 O15118 1/20 0.38
HSP90AA1 P07900 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HDAC6 Q9UBN7 2/20 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
SCHEMBL8076734 0.83 HDAC6 (0.47) KDRHPGDKMT2AMAPTMEN1
SCHEMBL8084792 0.78 NPSR1 (0.44) HPGDKMT2AMAPTMEN1SMN1; SMN2
SCHEMBL8088227 0.76 DNMT1 (0.44) HPGDKMT2AMAPTMEN1SMN1; SMN2
SCHEMBL8088268 0.76 HSD17B10 (0.50) HPGDKMT2AMAPTMEN1SMN1; SMN2
SCHEMBL8084739 0.74 ALDH1A1 (0.60) KDRHPGDKMT2AMAPTMEN1
SCHEMBL8084741 0.74 ALDH1A1 (0.50) HPGDKMT2AMAPTMEN1SMN1; SMN2
SCHEMBL8084097 0.74 HTR2C (0.48) HPGDKMT2AMAPTMEN1SMN1; SMN2
SCHEMBL8084606 0.74 MAPT (0.45) KMT2AMAPTMEN1SMN1; SMN2ALDH1A1
SCHEMBL8084102 0.73 HTR2C (0.53) HPGDKMT2AMAPTMEN1SMN1; SMN2
SCHEMBL8084757 0.72 ALDH1A1 (0.49) HPGDKMT2AMAPTMEN1SMN1; SMN2

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