SCHEMBL7977577

SCHEMBL7977577

O=C(Nc1nccs1)c1nc(-c2ccc(C(F)(F)F)cc2)[nH]c1-c1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
NPC1 O15118 3/20 0.47
MAPT P10636 3/20 0.47
GAA P10253 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MGAM O43451 1/20 0.47
SI P14410 1/20 0.47
MGAM2 Q2M2H8 1/20 0.47
GCK P35557 2/20 0.46
ALOX5 P09917 1/20 0.44
MAPK1 P28482 2/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 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
SCHEMBL7991866 0.92 MAPK1 (0.51) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL7977619 0.91 RAB9A (0.52) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL7992090 0.91 MEN1 (0.52) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL7989723 0.91 MEN1 (0.50) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL7978582 0.91 RAB9A (0.52) RAB9AMEN1KMT2ANPC1MAPT
Hydrochloric Acid SCHEMBL7988409 0.90 ALOX5 (0.50) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL7991733 0.89 MEN1 (0.50) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL7995572 0.89 AURKA (0.47) RAB9AMEN1KMT2AMAPTGAA
SCHEMBL7991953 0.88 RAB9A (0.52) RAB9AMEN1KMT2ANPC1MAPT
SCHEMBL7977883 0.88 LMNA (0.55) RAB9AMEN1KMT2ANPC1MAPT

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