SCHEMBL7988807

SCHEMBL7988807

CCCCNc1ccc(-c2nc(C(=O)Nc3nccs3)c(-c3ccc(F)cc3)[nH]2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.45
CYP2C9 P11712 1/20 0.45
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
MAPT P10636 4/20 0.43
ALDH1A1 P00352 3/20 0.43
GAA P10253 2/20 0.43
NPC1 O15118 1/20 0.43
MGAM O43451 1/20 0.43
SI P14410 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
CYP2C19 P33261 1/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.41
PSMD14 O00487 1/20 0.41
HPGD P15428 1/20 0.41
HK1 P19367 1/20 0.41

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
SCHEMBL7988904 0.92 MEN1 (0.50) ADORA2ACYP2C9MEN1KMT2AMAPT
SCHEMBL7978123 0.91 RAB9A (0.41) ADORA2ACYP2C9MEN1KMT2AMAPT
SCHEMBL7992126 0.91 NPC1 (0.46) ADORA2ACYP2C9MEN1KMT2AMAPT
SCHEMBL7989590 0.91 MAPT (0.53) ADORA2ACYP2C9MEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL7977698 0.90 MAPT (0.53) ADORA2ACYP2C9MEN1KMT2AMAPT
SCHEMBL7991917 0.87 MEN1 (0.47) MEN1KMT2AMAPTALDH1A1GAA
SCHEMBL7977611 0.86 MAPK1 (0.49) ADORA2ACYP2C9MEN1KMT2AMAPT
SCHEMBL7992215 0.85 MAPT (0.55) ADORA2AMEN1KMT2AMAPTALDH1A1
Hydrochloric Acid SCHEMBL7988824 0.84 MAPT (0.54) ADORA2AMEN1KMT2AMAPTALDH1A1
SCHEMBL7991733 0.84 MEN1 (0.50) CYP2C9MEN1KMT2AMAPTALDH1A1

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