SCHEMBL7315233

SCHEMBL7315233

O=Cc1c(F)cccc1NCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.50
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
TSHR P16473 1/20 0.42
ADH1B P00325 1/20 0.42
ADH1C P00326 1/20 0.42
ADH1A P07327 1/20 0.42
ADH7 P40394 1/20 0.42
PLK1 P53350 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA13 Q8N1Q1 1/20 0.41
BACE1 P56817 1/20 0.41

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
SCHEMBL7322024 0.79 KDM4E (0.44) HSD17B10HDAC1HDAC8HDAC6LMNA
SCHEMBL7322029 0.79 KDM4E (0.44) HSD17B10HDAC1HDAC8HDAC6LMNA
SCHEMBL4982611 0.79 HSD17B10 (0.59) HSD17B10HDAC1HDAC8HDAC6LMNA
SCHEMBL18297695 0.78 PSIP1 (0.43) KMT2AALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL11511266 0.78 HSD17B10 (0.53) HSD17B10HDAC1HDAC8HDAC6LMNA
SCHEMBL4529804 0.75 BACE1 (0.51) HSD17B10HDAC1HDAC8HDAC6KDM4E
SCHEMBL16856424 0.75 HSD17B10 (0.50) HSD17B10HDAC1HDAC8HDAC6KMT2A
SCHEMBL12427631 0.74 PLK1 (0.67) HSD17B10HDAC1HDAC8HDAC6KMT2A
SCHEMBL875144 0.74 HSD17B10 (0.58) HSD17B10LMNAKMT2AKDM4EHPGD
SCHEMBL10055034 0.73 HDAC1 (0.54) HSD17B10HDAC1HDAC8HDAC6LMNA

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
US-6207701-B1 AS ANTI-ANGIOGENIC, ANTI-ARTHRITIC, ANTI-INFLAMMATORY, ANTI-RETINOPATHIC, CONTRACEPTIVE AND TUMORISTATIC AGENTS ABBOTT LABORATORIES 2001-03-27 US disclosed