SCHEMBL28501095

SCHEMBL28501095

O=C(Nc1ccc(Oc2ccccc2)cc1)Nc1ccc([N+](=O)[O-])cc1Cl

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.64
MEN1 O00255 8/20 0.64
MAPT P10636 8/20 0.64
MAPK1 P28482 3/20 0.64
NPC1 O15118 2/20 0.64
RAB9A P51151 2/20 0.64
NPSR1 Q6W5P4 2/20 0.64
MYOC Q99972 1/20 0.64
LMNA P02545 4/20 0.61
CXCR1 P25024 2/20 0.59
CXCR2 P25025 2/20 0.59
TRPV1 Q8NER1 1/20 0.58
RAF1 P04049 1/20 0.58
GAA P10253 1/20 0.57
PKM P14618 1/20 0.57
POLB P06746 1/20 0.55
HTT P42858 2/20 0.54
FFAR1 O14842 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
CA12 O43570 1/20 0.53

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
SCHEMBL3460730 0.89 CXCR2 (0.73) KMT2AMEN1MAPTMAPK1NPC1
SCHEMBL5594982 0.87 CXCR2 (0.79) KMT2AMEN1MAPTMAPK1NPC1
SCHEMBL8103164 0.87 MEN1 (0.69) KMT2AMEN1MAPTMAPK1NPC1
SCHEMBL8104826 0.87 KMT2A (0.78) KMT2AMEN1MAPTMAPK1NPC1
SCHEMBL11027238 0.85 MEN1 (0.88) KMT2AMEN1MAPTMAPK1NPC1
SCHEMBL4956157 0.84 KMT2A (0.74) KMT2AMEN1MAPTMAPK1NPC1
SCHEMBL1305388 0.82 TRPV1 (0.54) KMT2AMEN1MAPTMAPK1NPC1
SCHEMBL11832409 0.82 MEN1 (0.88) KMT2AMEN1MAPTMAPK1NPC1
SCHEMBL30664565 0.82 MEN1 (0.68) KMT2AMEN1MAPTMAPK1NPC1
SCHEMBL21750900 0.82 MEN1 (0.68) KMT2AMEN1MAPTMAPK1NPC1

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-108530455-B Urea substituted aromatic ring connecting dioxane and quinazoline compound or medicinal salt or hydrate and application as tyrosine kinase inhibitor 北京赛特明强医药科技有限公司 2021-01-12 CN disclosed