SCHEMBL9018924

SCHEMBL9018924

O=C(c1ccc(Cc2ccccc2[N+](=O)[O-])cc1)c1ccc(Cc2ccccc2[N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
TSHR P16473 2/20 0.50
MAOB P27338 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
LMNA P02545 1/20 0.48
MAPK1 P28482 2/20 0.48
VCAM1 P19320 1/20 0.48
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
HPGD P15428 1/20 0.46
POLB P06746 1/20 0.45
KDM4E B2RXH2 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
TGM2 P21980 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
Bicarbonate SCHEMBL27706334 0.85 ALDH1A1 (0.55) ALDH1A1TSHRL3MBTL1NPC1RAB9A
SCHEMBL29274264 0.84 HTT (0.55) ALDH1A1MAOBNPC1RAB9ASMN1; SMN2
SCHEMBL1246299 0.83 KEAP1 (0.55) ALDH1A1TSHRMAOBL3MBTL1NPC1
SCHEMBL40607 0.83 ALDH1A1 (0.60) ALDH1A1TSHRNPC1RAB9ASMN1; SMN2
SCHEMBL9769704 0.81 ALDH1A1 (0.55) ALDH1A1TSHRSMN1; SMN2LMNAKMT2A
SCHEMBL3884443 0.81 ALDH1A1 (0.54) ALDH1A1TSHRL3MBTL1NPC1RAB9A
SCHEMBL10587696 0.80 ALDH1A1 (0.68) ALDH1A1TSHRL3MBTL1NPC1RAB9A
SCHEMBL7118572 0.80 ALDH1A1 (0.53) ALDH1A1TSHRL3MBTL1NPC1RAB9A
SCHEMBL7191427 0.80 HSD17B10 (0.53) ALDH1A1TSHRNPC1RAB9ASMN1; SMN2
SCHEMBL30956245 0.80 HSD17B10 (0.53) ALDH1A1TSHRNPC1RAB9ASMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5543573-A INSECTICIDES NIHON NOHYAKU CO., LTD. (JP) 1996-08-06 US disclosed
EP-0462456-B1 Hydrazinecarboxamide derivatives, a process for production thereof, and uses thereof NIHON NOHYAKU CO LTD (JP) 1996-05-08 EP disclosed
EP-0462456-A1 Hydrazinecarboxamide derivatives, a process for production thereof, and uses thereof NIHON NOHYAKU CO., LTD. (JP) 1991-12-27 EP disclosed