SCHEMBL7965546

SCHEMBL7965546

COC(=O)c1c(Cl)c(-c2cccnc2)n2c1C(OC)CCC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.40
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
CYP19A1 P11511 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
ALDH1A1 P00352 5/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 2/20 0.36
LMNA P02545 2/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 2/20 0.35
ALOX15 P16050 2/20 0.35
PSMD14 O00487 1/20 0.35

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
SCHEMBL7962938 0.91 CYP11B2 (0.36) NR4A2KMT2ACYP19A1CYP11B1CYP11B2
SCHEMBL8328200 0.91 CHRNB1 (0.35) NR4A2KMT2ACYP19A1CYP11B1CYP11B2
SCHEMBL2157354 0.90 MKNK1 (0.39) NR4A2CYP11B2CHRNB1CHRNB2CHRNB4
SCHEMBL7962101 0.89 NR4A2 (0.40) NR4A2KMT2AMEN1GABRA1GABRG2
SCHEMBL7961198 0.82 MEN1 (0.34) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL2157391 0.81 CYP11B2 (0.40) KMT2AMEN1CYP11B1CYP11B2ALDH1A1
SCHEMBL7961758 0.80 FPR1 (0.35) KMT2AMEN1ALDH1A1MAPTSMN1; SMN2
SCHEMBL7955055 0.79 KMT2A (0.55) NR4A2KMT2AMEN1GABRA1GABRG2
SCHEMBL7964717 0.78 ALDH1A1 (0.40) NR4A2KMT2AMEN1GABRA1GABRG2
SCHEMBL7967732 0.77 CYP11B2 (0.39) CYP11B1CYP11B2ALDH1A1MAPTLMNA

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-6207675-B1 FOR PROPHYLAXIS AND THERAPY OF DISEASES IN WHICH ARE INVOLVED VIRUSES OF THE HERPES FAMILY AND/OR CYTOKINES IN PARTICULAR TUMOR NERCOSIS FACTOR-ALPHA RHONE-POULENC RORER S.A. (FR) 2001-03-27 US claimed
US-6207675-B1 FOR PROPHYLAXIS AND THERAPY OF DISEASES IN WHICH ARE INVOLVED VIRUSES OF THE HERPES FAMILY AND/OR CYTOKINES IN PARTICULAR TUMOR NERCOSIS FACTOR-ALPHA RHONE-POULENC RORER S.A. (FR) 2001-03-27 US disclosed