SCHEMBL9446607

SCHEMBL9446607

CCOCn1cc(-c2ccc(Cl)cc2)c([N+](=O)[O-])c1-c1ccc(Cl)c(Cl)c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 2/20 0.37
GABRB2 P47870 2/20 0.37
PGR P06401 4/20 0.32
P2RX7 Q99572 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SRC P12931 2/20 0.32
ALDH1A1 P00352 4/20 0.32
MAPT P10636 3/20 0.32
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
DUT P33316 1/20 0.32
TEAD2 Q15562 1/20 0.31
KCNMA1 Q12791 1/20 0.31
TSHR P16473 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30

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
SCHEMBL10591389 0.78 HSD17B10 (0.34) HSD17B10ALDH1A1MAPTLMNANPSR1
SCHEMBL9015140 0.75 PSD (0.33) GABRA2GABRB2SRC
SCHEMBL9015114 0.73 PSD (0.35) GABRA2GABRB2KCNMA1MEN1KMT2A
SCHEMBL9446536 0.71 AKR1C3 (0.34) GABRA2GABRB2PGRHSD17B10ALDH1A1
SCHEMBL30880273 0.65 GABRA2 (0.47) GABRA2GABRB2HSD17B10ALDH1A1LMNA
SCHEMBL27396018 0.65 GABRA2 (0.47) GABRA2GABRB2HSD17B10ALDH1A1LMNA
SCHEMBL30880271 0.65 GABRA2 (0.47) GABRA2GABRB2HSD17B10ALDH1A1LMNA
SCHEMBL8962070 0.64 PTGS1 (0.40) ALDH1A1MAPTLMNAKCNMA1MEN1
SCHEMBL27396035 0.64 GFER (0.46) GABRA2GABRB2ALDH1A1MAPTKDM4E
SCHEMBL7784924 0.62 MAPT (0.39) ALDH1A1MAPTLMNANPSR1KCNMA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5233052-A Insecticidal and acaricidal diarylpyrrolecarbonitrile and diarylnitropyrrole compounds AMERICAN CYANAMID COMPANY (US) 1993-08-03 US disclosed
US-5180734-A INSECTICIDAL AND ACARICIDAL DIARYLPYRROLECARBONITRILE AND DIARYLNITROPYRROLE COMPOUNDS AMERICAN CYANAMID COMPANY (US) 1993-01-19 US disclosed