SCHEMBL7991875

SCHEMBL7991875

Nc1ccc(-c2[nH]c(-c3cccc4ccccc34)nc2C(=O)Nc2nccs2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.47
NPC1 O15118 7/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
RECQL P46063 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
POLB P06746 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
METAP2 P50579 1/20 0.41
METAP1 P53582 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
SCHEMBL7977710 0.92 RAB9A (0.52) RAB9ANPC1LMNASIRT2MEN1
SCHEMBL7991983 0.91 MAPK13 (0.50) RAB9ANPC1SMN1; SMN2LMNASIRT2
SCHEMBL6707244 0.91 RAB9A (0.48) RAB9ANPC1SMN1; SMN2LMNAL3MBTL1
SCHEMBL7994926 0.91 RAB9A (0.45) RAB9ANPC1SMN1; SMN2LMNAL3MBTL1
Hydrochloric Acid SCHEMBL7991518 0.90 MEN1 (0.49) RAB9ANPC1SMN1; SMN2LMNAL3MBTL1
SCHEMBL7977588 0.89 SIRT2 (0.43) RAB9ANPC1SMN1; SMN2LMNAL3MBTL1
SCHEMBL7995180 0.88 MAPK1 (0.53) RAB9ANPC1SMN1; SMN2LMNAL3MBTL1
SCHEMBL7991541 0.88 RAB9A (0.44) RAB9ANPC1SMN1; SMN2LMNAL3MBTL1
SCHEMBL7988277 0.88 SIRT2 (0.43) RAB9ANPC1LMNASIRT2MEN1
SCHEMBL7987908 0.87 NPC1 (0.51) RAB9ANPC1SMN1; SMN2LMNARECQL

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