SCHEMBL11546200

SCHEMBL11546200

COc1cc([N+](=O)[O-])c2nc(C(F)(F)F)cc(Cl)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.41
▸ MAPK1 P28482 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ G6PD P11413 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ APOBEC3G Q9HC16 1/20 0.41
▸ PIM1 P11309 3/20 0.38
▸ PIM3 Q86V86 3/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MERTK Q12866 1/20 0.38
▸ LMNA P02545 3/20 0.38
▸ ALDH1A1 P00352 4/20 0.37
▸ HPGD P15428 2/20 0.37
▸ RAF1 P04049 1/20 0.37
▸ GFER P55789 1/20 0.37
▸ PAX8 Q06710 1/20 0.37

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
SCHEMBL11543012 0.86 MAPT (0.40) MAPTMAPK1KDM4ENPSR1MEN1
SCHEMBL2860220 0.78 KMT2A (0.41) MAPTKDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL11545084 0.71 MAPT (0.42) MAPTMAPK1KDM4ENPSR1MEN1
SCHEMBL7521882 0.70 PIN1 (0.41) MAPTKDM4ENPSR1MEN1KMT2A
SCHEMBL4728549 0.70 RELA (0.43) MAPTMAPK1KDM4ENPSR1MEN1
SCHEMBL11072978 0.69 MERTK (0.55) MAPTMAPK1KDM4ENPSR1MEN1
SCHEMBL30140371 0.68 MAPK1 (0.47) MAPTMAPK1KDM4ENPSR1MEN1
SCHEMBL2709780 0.68 NT5E (0.60) MAPTKDM4ENPSR1MEN1KMT2A
SCHEMBL31503831 0.68 MAPK1 (0.50) MAPTMAPK1KDM4ENPSR1MEN1
SCHEMBL10981231 0.68 MAPK1 (0.50) MAPTMAPK1KDM4ENPSR1MEN1

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
US-4167638-A Process for production of 8-NHR quinolines THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1979-09-11 — — US disclosed
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