SCHEMBL7960407

SCHEMBL7960407

COC(=O)c1c(Br)c(-c2cccnc2)n2c1CCCC2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.55
MEN1 O00255 1/20 0.55
ALDH1A1 P00352 4/20 0.48
LMNA P02545 2/20 0.48
HTT P42858 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPK1 P28482 2/20 0.41
CYP19A1 P11511 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
NR4A2 P43354 2/20 0.38
ABCC1 P33527 1/20 0.37

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
SCHEMBL7585895 0.88 KMT2A (0.56) KMT2AMEN1ALDH1A1LMNAHTT
SCHEMBL7953699 0.88 KMT2A (0.41) KMT2AMEN1ALDH1A1LMNAHTT
SCHEMBL7955055 0.87 KMT2A (0.55) KMT2AMEN1ALDH1A1LMNAHTT
SCHEMBL7957097 0.86 KMT2A (0.43) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL9065383 0.86 KMT2A (0.73) KMT2AMEN1ALDH1A1LMNAHTT
SCHEMBL7957167 0.85 MKNK1 (0.40) KMT2AMEN1ALDH1A1MAPTCYP11B1
SCHEMBL7953523 0.78 KMT2A (0.44) KMT2AMEN1ALDH1A1LMNAHTT
SCHEMBL7954864 0.77 CYP11B2 (0.42) KMT2AMEN1ALDH1A1LMNAHTT
SCHEMBL7946425 0.77 KDM4E (0.49) KMT2AMEN1ALDH1A1LMNAHTT
SCHEMBL7953701 0.76 CYP11B2 (0.42) KMT2AMEN1ALDH1A1LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6194426-B1 CONTROLLING TUMOR NECROSIS FACTOR RHONA-POULENC RORER S.A. (FR) 2001-02-27 US disclosed