SCHEMBL11280865

SCHEMBL11280865

COc1ccc(C(CNC=O)c2ccccc2[N+](=O)[O-])cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.45
KMT2A Q03164 7/20 0.44
SMN1; SMN2 Q16637 6/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 3/20 0.44
ALDH1A1 P00352 6/20 0.44
MAPT P10636 4/20 0.42
MEN1 O00255 4/20 0.42
GAA P10253 3/20 0.42
HTT P42858 2/20 0.42
LMNA P02545 2/20 0.42
TP53 P04637 1/20 0.41
KDM4E B2RXH2 1/20 0.40
SLC6A3 Q01959 1/20 0.40
APAF1 O14727 1/20 0.40
TDP2 O95551 1/20 0.40
HSP90AA1 P07900 1/20 0.40
CASP3 P42574 1/20 0.40
BLM P54132 1/20 0.40
SENP8 Q96LD8 1/20 0.40

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
SCHEMBL28569559 0.83 SMN1; SMN2 (0.51) HPGDKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL4723219 0.80 CNR2 (0.49) KMT2ASMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL5595476 0.79 CYP1A2 (0.56) HPGDKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL26670137 0.77 SMN1; SMN2 (0.47) HPGDKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL28555839 0.75 SMN1; SMN2 (0.50) HPGDKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL5583370 0.74 ALDH1A1 (0.52) HPGDKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL7802203 0.74 SMN1; SMN2 (0.49) HPGDKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL7523694 0.74 MEN1 (0.51) HPGDKMT2AALDH1A1MEN1HTT
SCHEMBL9584029 0.71 PTPN1 (0.47) HPGDKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL6979799 0.70 SMN1; SMN2 (0.42) HPGDKMT2ASMN1; SMN2NPC1RAB9A

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-4309424-A 4-Phenyl-1,3-benzodiazepines HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1982-01-05 US disclosed