SCHEMBL7991779

SCHEMBL7991779

CN(C)c1ccc(-c2nc(C(=O)Nc3nccs3)c(-c3ccc(F)cc3)[nH]2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 4/20 0.49
ALOX5 P09917 1/20 0.48
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
MAPT P10636 4/20 0.47
RAB9A P51151 2/20 0.47
GAA P10253 2/20 0.47
ALDH1A1 P00352 2/20 0.47
NPC1 O15118 1/20 0.47
MGAM O43451 1/20 0.47
SI P14410 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MGAM2 Q2M2H8 1/20 0.47
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
AURKB Q96GD4 1/20 0.44
AURKC Q9UQB9 1/20 0.44
MAPK1 P28482 2/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL7989403 0.91 AURKA (0.51) AURKAMEN1KMT2AMAPTRAB9A
SCHEMBL7991821 0.91 RAB9A (0.45) AURKAMEN1KMT2AMAPTRAB9A
SCHEMBL7991819 0.90 MEN1 (0.52) AURKAMEN1KMT2AMAPTRAB9A
SCHEMBL7995572 0.90 AURKA (0.47) AURKAALOX5MEN1KMT2AMAPT
SCHEMBL7989229 0.89 MEN1 (0.56) AURKAMEN1KMT2AMAPTRAB9A
SCHEMBL7991733 0.88 MEN1 (0.50) ALOX5MEN1KMT2AMAPTRAB9A
Hydrochloric Acid SCHEMBL7992218 0.88 AURKA (0.47) AURKAMEN1KMT2AMAPTRAB9A
SCHEMBL7991917 0.87 MEN1 (0.47) MEN1KMT2AMAPTRAB9AGAA
SCHEMBL7991953 0.87 RAB9A (0.52) ALOX5MEN1KMT2AMAPTRAB9A
Hydrochloric Acid SCHEMBL7988409 0.87 ALOX5 (0.50) ALOX5MEN1KMT2AMAPTRAB9A

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