SCHEMBL27804580

SCHEMBL27804580

O=C(CCl)Nc1nnc(-c2cccnc2)s1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.68
HDAC2 Q92769 3/20 0.68
MAPT P10636 2/20 0.63
ALDH1A1 P00352 6/20 0.62
RAB9A P51151 2/20 0.62
NPC1 O15118 2/20 0.60
BLM P54132 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.58
POLB P06746 2/20 0.58
RECQL P46063 1/20 0.58
DUSP3 P51452 1/20 0.58
PTPN5 P54829 1/20 0.58
PTPN11 Q06124 1/20 0.58
CTDSP1 Q9GZU7 1/20 0.58
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
PKM P14618 3/20 0.53
KDM4E B2RXH2 3/20 0.52
HPGD P15428 2/20 0.52
THRB P10828 2/20 0.50

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
SCHEMBL255989 0.87 HDAC1 (0.77) HDAC1HDAC2MAPTALDH1A1RAB9A
SCHEMBL23932950 0.85 ALDH1A1 (0.67) HDAC1HDAC2MAPTALDH1A1RAB9A
SCHEMBL231006 0.84 NPC1 (0.63) HDAC1HDAC2MAPTALDH1A1RAB9A
SCHEMBL27804582 0.83 KDM4E (0.74) HDAC1HDAC2MAPTALDH1A1RAB9A
SCHEMBL255987 0.81 HDAC1 (0.68) HDAC1HDAC2MAPTALDH1A1RAB9A
SCHEMBL174581 0.79 HDAC1 (0.59) HDAC1HDAC2MAPTALDH1A1RAB9A
SCHEMBL27929806 0.78 ALDH1A1 (0.65) HDAC1HDAC2MAPTALDH1A1RAB9A
SCHEMBL17318625 0.78 NPC1 (0.63) HDAC1HDAC2MAPTALDH1A1RAB9A
SCHEMBL255828 0.78 ALDH1A1 (0.64) HDAC1HDAC2MAPTALDH1A1RAB9A
SCHEMBL8136410 0.78 ALDH1A1 (0.55) HDAC1HDAC2MAPTALDH1A1RAB9A

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
CN-101723943-B 1,3, 4-thiadiazolyl fluorouracil compounds and preparation method and application thereof NANJING TECH UNIVERSITY (CN) 2012-02-01 CN disclosed
CN-101723943-A 1,3, 4-thiadiazolyl fluorouracil compounds and preparation method and application thereof NANJING UNIVERSITY OF TECHNOLOGY 2010-06-09 CN disclosed