SCHEMBL7946455

SCHEMBL7946455

NC(=O)c1c(Br)c(-c2cccnc2Cl)n2c1CCCC2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.38
GAA P10253 2/20 0.35
MAPT P10636 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CSNK1D P48730 1/20 0.33
CSNK1E P49674 1/20 0.33
ALDH1A1 P00352 3/20 0.33
KMT2A Q03164 2/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32
ABCC1 P33527 1/20 0.32
RORC P51449 3/20 0.32
FLT3 P36888 1/20 0.32
KDM4E B2RXH2 1/20 0.32
DHODH Q02127 1/20 0.31
FAAH O00519 1/20 0.31
POLB P06746 1/20 0.31
PPARG P37231 1/20 0.31

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
SCHEMBL7955530 0.89 HPGD (0.39) HPGDGAAMAPTSMN1; SMN2CSNK1D
SCHEMBL7960324 0.87 PLAU (0.38) GAACSNK1DCSNK1EALDH1A1KMT2A
SCHEMBL7946357 0.87 HPGD (0.38) HPGDGAAMAPTSMN1; SMN2CSNK1D
SCHEMBL7957120 0.87 HPGD (0.38) HPGDGAAMAPTSMN1; SMN2CSNK1D
SCHEMBL7955033 0.78 ALDH1A1 (0.43) HPGDGAAALDH1A1KMT2ARAB9A
SCHEMBL7955823 0.78 MKNK1 (0.41) HPGDGAAMAPTSMN1; SMN2CSNK1D
SCHEMBL7946555 0.78 PLAU (0.38) HPGDMAPTSMN1; SMN2CSNK1DCSNK1E
SCHEMBL7957167 0.77 MKNK1 (0.40) GAAMAPTCSNK1DCSNK1EALDH1A1
SCHEMBL7957179 0.76 KMT2A (0.40) HPGDGAAMAPTSMN1; SMN2CSNK1D
SCHEMBL7953633 0.75 PLAU (0.41) GAACSNK1DCSNK1EALDH1A1KMT2A

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