SCHEMBL11543012

SCHEMBL11543012

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ G6PD P11413 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ APOBEC3G Q9HC16 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ PIM1 P11309 3/20 0.37
▸ PIM3 Q86V86 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.36
▸ HTT P42858 1/20 0.36
▸ POLB P06746 2/20 0.35
▸ NQO2 P16083 1/20 0.35
▸ MTNR1A P48039 1/20 0.35
▸ MTNR1B P49286 1/20 0.35

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
SCHEMBL11546200 0.86 MAPT (0.41) MAPTKDM4EKMT2ANPSR1MEN1
SCHEMBL2859335 0.79 KMT2A (0.41) MAPTKDM4EKMT2AMEN1MAPK1
SCHEMBL11545084 0.70 MAPT (0.42) MAPTKDM4EKMT2ANPSR1MEN1
SCHEMBL4728549 0.69 RELA (0.43) MAPTKDM4EKMT2ANPSR1MEN1
SCHEMBL2710723 0.69 NT5E (0.57) MAPTKDM4EKMT2ANPSR1MEN1
SCHEMBL2402093 0.68 GPR35 (0.61) MAPTKDM4EKMT2ANPSR1MEN1
SCHEMBL2567845 0.68 MEN1 (0.42) KMT2AMEN1SMN1; SMN2LMNAALDH1A1
SCHEMBL15199259 0.67 GPR35 (0.56) MAPTKDM4EKMT2ANPSR1MEN1
SCHEMBL2711168 0.66 NT5E (0.50) MAPTKDM4EKMT2ANPSR1MEN1
SCHEMBL4069709 0.66 TPMT (0.64) MAPTKDM4EKMT2ANPSR1MEN1

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
Send feedback