SCHEMBL27821589

SCHEMBL27821589

O=C(Nc1nnc(-c2cccnc2)s1)Oc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.58
ALDH1A1 P00352 4/20 0.58
NPC1 O15118 4/20 0.57
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
MAPT P10636 2/20 0.56
HDAC1 Q13547 2/20 0.55
HDAC2 Q92769 2/20 0.55
BLM P54132 2/20 0.53
POLB P06746 2/20 0.53
RECQL P46063 1/20 0.53
DUSP3 P51452 1/20 0.53
PTPN5 P54829 1/20 0.53
PTPN11 Q06124 1/20 0.53
CTDSP1 Q9GZU7 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
MIF P14174 1/20 0.52
HSD17B10 Q99714 3/20 0.51
TSHR P16473 1/20 0.51
KDM4E B2RXH2 1/20 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
SCHEMBL6215399 0.88 NPC1 (0.60) RAB9AALDH1A1NPC1MEN1KMT2A
SCHEMBL8143171 0.86 KDM4E (0.64) RAB9AALDH1A1NPC1MEN1KMT2A
SCHEMBL255828 0.80 ALDH1A1 (0.64) RAB9AALDH1A1NPC1MEN1KMT2A
SCHEMBL8145039 0.80 RAB9A (0.77) RAB9AALDH1A1NPC1MEN1KMT2A
SCHEMBL27821590 0.79 MEN1 (0.57) RAB9AALDH1A1NPC1MEN1KMT2A
SCHEMBL27911826 0.77 ALDH1A1 (0.58) RAB9AALDH1A1NPC1MEN1KMT2A
SCHEMBL8136410 0.77 ALDH1A1 (0.55) RAB9AALDH1A1NPC1MEN1KMT2A
SCHEMBL31030144 0.77 ALDH1A1 (0.54) RAB9AALDH1A1NPC1MEN1KMT2A
SCHEMBL13499907 0.76 KMT2A (0.61) RAB9AALDH1A1NPC1MEN1KMT2A
SCHEMBL27911817 0.75 ALDH1A1 (0.56) RAB9AALDH1A1NPC1MEN1KMT2A

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-101948466-B Asymmetric heterocyclic ring substituent urea compound and preparation method and application thereof UNIV NANKAI 2014-04-16 CN disclosed
CN-101948466-A Asymmetric heterocyclic ring substituent urea compound and preparation method and application thereof UNIV NANKAI 2011-01-19 CN disclosed