SCHEMBL9018926

SCHEMBL9018926

O=C(c1ccccc1Cc1ccc([N+](=O)[O-])cc1)c1ccccc1Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.49
TSHR P16473 2/20 0.49
POLB P06746 2/20 0.47
LTA4H P09960 1/20 0.47
PLA2G2A P14555 1/20 0.47
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP2C19 P33261 2/20 0.45
MAPK1 P28482 1/20 0.45
CYP1A2 P05177 1/20 0.45
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
LOXL2 Q9Y4K0 1/20 0.44
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
PTPRF P10586 1/20 0.44

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
SCHEMBL6842191 0.89 TSHR (0.64) RAB9ATSHRPOLBLTA4HPLA2G2A
SCHEMBL13240460 0.88 KMT2A (0.49) RAB9ATSHRPOLBLTA4HPLA2G2A
SCHEMBL30100506 0.88 KMT2A (0.51) RAB9ATSHRPOLBLTA4HPLA2G2A
SCHEMBL13240457 0.88 ALDH1A1 (0.49) RAB9ATSHRPOLBLTA4HPLA2G2A
SCHEMBL26103989 0.85 CTSD (0.55) RAB9ATSHRLTA4HPLA2G2AALDH1A1
SCHEMBL13240461 0.84 RAB9A (0.50) RAB9ATSHRPOLBALDH1A1MEN1
SCHEMBL7298942 0.81 ALDH1A1 (0.76) RAB9ATSHRALDH1A1MEN1KMT2A
SCHEMBL27522422 0.80 KEAP1 (0.59) TSHRPOLBLTA4HPLA2G2AALDH1A1
SCHEMBL1247034 0.79 TSHR (0.61) TSHRALDH1A1MAPTCYP2C19CYP1A2
Bicarbonate SCHEMBL30752734 0.78 LTA4H (0.48) RAB9APOLBLTA4HPLA2G2AALDH1A1

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