SCHEMBL9619486

SCHEMBL9619486

O=C1C(=Cc2ccc([N+](=O)[O-])cc2)CCCC1=Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP18 Q9UMW8 2/20 0.67
UCHL5 Q9Y5K5 2/20 0.67
HSP90AA1 P07900 2/20 0.67
USP2 O75604 1/20 0.67
MAPT P10636 5/20 0.62
CASP3 P42574 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.62
RAB9A P51151 2/20 0.62
SENP8 Q96LD8 1/20 0.62
SENP7 Q9BQF6 1/20 0.62
SENP6 Q9GZR1 1/20 0.62
CYP1A2 P05177 5/20 0.59
HSD11B1 P28845 2/20 0.59
F3 P13726 2/20 0.59
CYP2C9 P11712 1/20 0.59
HTT P42858 2/20 0.54
NPC1 O15118 1/20 0.54
XBP1 P17861 1/20 0.54
MAPK1 P28482 1/20 0.54
HPGD P15428 1/20 0.54

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
SCHEMBL9619484 1.00 USP18 (0.67) USP18UCHL5HSP90AA1USP2MAPT
SCHEMBL812720 0.88 AKR1C3 (0.60) USP18UCHL5HSP90AA1USP2MAPT
SCHEMBL809473 0.88 AKR1C3 (0.60) USP18UCHL5HSP90AA1USP2MAPT
SCHEMBL3437943 0.85 USP18 (0.56) USP18UCHL5HSP90AA1USP2MAPT
SCHEMBL29169528 0.85 USP18 (0.56) USP18UCHL5HSP90AA1USP2MAPT
SCHEMBL3437940 0.85 USP18 (0.56) USP18UCHL5HSP90AA1USP2MAPT
SCHEMBL29506224 0.84 USP18 (0.52) USP18UCHL5HSP90AA1USP2MAPT
SCHEMBL14797847 0.83 USP18 (0.67) USP18UCHL5HSP90AA1USP2MAPT
SCHEMBL14797848 0.83 USP18 (0.67) USP18UCHL5HSP90AA1USP2MAPT
SCHEMBL18610094 0.80 USP18 (0.50) USP18UCHL5HSP90AA1USP2MAPT

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-5141976-A MIXTURES OF POLYARYLENE SULPHIDES, NITROARYLMETHYLIDENE KETONES, GLASS FIBERS AND OPTIONALLY OTHER FILLERS BAYER AKTIENGESELLSCHAFT (DE) 1992-08-25 US disclosed
EP-0472034-A1 Mixtures of polyarylene sulfides, nitroaryl methylide ketones, glass fibres, and optionally further fillers BAYER AG (DE) 1992-02-26 EP disclosed
US-4354976-A Process for the preparation of azidobenzal compounds MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1982-10-19 US disclosed