SCHEMBL28054501

SCHEMBL28054501

Cc1nc(N)cc(-c2ccc([N+](=O)[O-])cc2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.51
ALDH1A1 P00352 5/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
HRH4 Q9H3N8 1/20 0.49
RAD51 Q06609 1/20 0.49
GAA P10253 2/20 0.48
LMNA P02545 2/20 0.45
CYP3A4 P08684 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
CHEK1 O14757 1/20 0.44
AURKA O14965 1/20 0.44
JAK2 O60674 1/20 0.44
ABL1 P00519 1/20 0.44
NTRK1 P04629 1/20 0.44
CSF1R P07333 1/20 0.44
RET P07949 1/20 0.44

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
SCHEMBL28054607 0.84 ALDH1A1 (0.56) MAPTALDH1A1SMN1; SMN2GAALMNA
SCHEMBL28054572 0.81 ALDH1A1 (0.51) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL30452206 0.74 MCL1 (0.56) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL8265150 0.74 ADORA2A (0.66) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL15829557 0.74 ACHE (0.60) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL28827853 0.73 ACHE (0.52) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL28054505 0.73 PTPN1 (0.46) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL26673800 0.72 ASIC3 (0.56) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL11839118 0.72 SLC2A1 (0.45) MAPTALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL27719667 0.72 HRH4 (0.55) MAPTALDH1A1MEN1KMT2ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102958921-B Urea compound, preparation method thereof, intermediate thereof and application thereof SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2016-03-23 CN disclosed