SCHEMBL7989403

SCHEMBL7989403

Cc1ccc(-c2[nH]c(-c3ccc(N(C)C)cc3)nc2C(=O)Nc2nccs2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 4/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
MAPT P10636 4/20 0.51
GAA P10253 2/20 0.51
RAB9A P51151 3/20 0.50
NPC1 O15118 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MGAM O43451 1/20 0.47
SI P14410 1/20 0.47
MGAM2 Q2M2H8 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
AURKB Q96GD4 1/20 0.47
AURKC Q9UQB9 1/20 0.47
MAPK1 P28482 2/20 0.46
POLB P06746 1/20 0.46
TSHR P16473 1/20 0.46
PPARG P37231 1/20 0.45

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
SCHEMBL7991819 0.91 MEN1 (0.52) AURKAMEN1KMT2AMAPTGAA
SCHEMBL7991779 0.91 AURKA (0.49) AURKAMEN1KMT2AMAPTGAA
SCHEMBL7977876 0.89 MEN1 (0.51) AURKAMEN1KMT2AMAPTGAA
SCHEMBL7989229 0.89 MEN1 (0.56) AURKAMEN1KMT2AMAPTGAA
SCHEMBL7995070 0.89 MEN1 (0.54) MEN1KMT2AMAPTGAARAB9A
SCHEMBL7977513 0.89 MEN1 (0.54) MEN1KMT2AMAPTGAARAB9A
SCHEMBL7995572 0.89 AURKA (0.47) AURKAMEN1KMT2AMAPTGAA
Hydrochloric Acid SCHEMBL7992218 0.89 AURKA (0.47) AURKAMEN1KMT2AMAPTGAA
Hydrochloric Acid SCHEMBL7977943 0.88 MEN1 (0.53) MEN1KMT2AMAPTGAARAB9A
SCHEMBL7977950 0.88 MAPT (0.53) MEN1KMT2AMAPTGAARAB9A

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-6288061-B1 INTERLEUKIN INHIBITORS; ASTHMA, BRONCHODILATOR AGENTS, ANTIALLERGENS WELFIDE CORPORATION (JP) 2001-09-11 US disclosed