SCHEMBL7260443

SCHEMBL7260443

Nc1cc(-c2cnco2)ccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.58
MAP4K4 O95819 1/20 0.56
CYP11B1 P15538 1/20 0.51
CYP11B2 P19099 1/20 0.51
LTA4H P09960 1/20 0.49
PKM P14618 2/20 0.49
GAA P10253 1/20 0.49
LMNA P02545 1/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
PTK2 Q05397 1/20 0.47
KEAP1 Q14145 1/20 0.45
AAK1 Q2M2I8 3/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43

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
SCHEMBL1450203 0.86 NOTUM (0.58) NOTUMMAP4K4CYP11B1CYP11B2LTA4H
SCHEMBL31659703 0.84 NOTUM (0.63) NOTUMMAP4K4CYP11B1CYP11B2LTA4H
SCHEMBL22039881 0.84 NOTUM (0.63) NOTUMMAP4K4CYP11B1CYP11B2LTA4H
SCHEMBL24309122 0.84 MAP4K4 (0.61) NOTUMMAP4K4CYP11B1CYP11B2LTA4H
SCHEMBL29458793 0.84 MAP4K4 (0.61) NOTUMMAP4K4CYP11B1CYP11B2LTA4H
SCHEMBL3466581 0.79 LMNA (0.58) NOTUMMAP4K4CYP11B1CYP11B2LTA4H
SCHEMBL8282019 0.79 MAP4K4 (0.56) NOTUMMAP4K4CYP11B1CYP11B2LTA4H
SCHEMBL22170248 0.76 LMNA (0.58) NOTUMMAP4K4CYP11B1CYP11B2LTA4H
SCHEMBL5777042 0.76 MAP4K4 (0.56) NOTUMMAP4K4CYP11B1CYP11B2LTA4H
SCHEMBL17493756 0.76 GAA (0.58) NOTUMMAP4K4CYP11B1CYP11B2LTA4H

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
WO-2003040141-A1 OXAZOLYL-PHENYL-2,4-DIAMINO-PYRIMIDINE COMPOUNDS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2003-05-15 WO disclosed