SCHEMBL7900598

SCHEMBL7900598

CCOC(=O)C=C(Cl)c1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.54
KDM4E B2RXH2 1/20 0.54
KMT2A Q03164 7/20 0.48
MEN1 O00255 5/20 0.48
POLB P06746 3/20 0.48
GAA P10253 3/20 0.48
RORC P51449 5/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MAPT P10636 3/20 0.46
MAPK1 P28482 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
PKM P14618 2/20 0.45
NPC1 O15118 1/20 0.45
HSP90AA1 P07900 1/20 0.45
HPGD P15428 1/20 0.45
CCR6 P51684 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 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
SCHEMBL7913990 0.86 RORC (0.52) NPSR1KDM4EKMT2AMEN1POLB
SCHEMBL9551008 0.83 KDM4E (0.50) NPSR1KDM4EKMT2AMEN1POLB
SCHEMBL4420346 0.81 SMN1; SMN2 (0.64) NPSR1KDM4EKMT2AMEN1POLB
SCHEMBL7900520 0.80 MAPT (0.51) KDM4EKMT2AMEN1GAASMN1; SMN2
SCHEMBL8942551 0.79 ALDH1A1 (0.55) NPSR1KDM4EKMT2AMEN1GAA
SCHEMBL25434777 0.78 SMN1; SMN2 (0.47) NPSR1KDM4EKMT2AMEN1POLB
SCHEMBL29074676 0.78 SMN1; SMN2 (0.47) NPSR1KDM4EKMT2AMEN1POLB
SCHEMBL6809200 0.77 CYP1A2 (0.53) NPSR1KDM4EKMT2AMEN1POLB
SCHEMBL6639628 0.77 CYP1A2 (0.53) NPSR1KDM4EKMT2AMEN1POLB
SCHEMBL6587015 0.75 KDM4E (0.54) NPSR1KDM4EKMT2AMEN1POLB

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-6211397-B1 CHLORINATION OF PHOSPHORANES BASF AKTIENGESELLSCHAFT (DE) 2001-04-03 US disclosed
US-5569774-A Process for the preparation of chlorine-substituted olefins BASF AKTIENGESELLSCHAFT (DE) 1996-10-29 US disclosed