SCHEMBL8953701

SCHEMBL8953701

CC(=O)Nc1ccc(Sc2cccc(Br)c2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.48
MAPT P10636 3/20 0.47
ALDH1A1 P00352 1/20 0.47
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
RAB9A P51151 2/20 0.46
GAA P10253 2/20 0.45
HTT P42858 2/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
BLM P54132 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
NAPRT Q6XQN6 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PTPN1 P18031 1/20 0.44
CDC25A P30304 1/20 0.44
CDC25B P30305 1/20 0.44
HDAC1 Q13547 1/20 0.44
NPC1 O15118 1/20 0.44

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
SCHEMBL9128067 0.84 TSHR (0.46) MTNR1AMTNR1BKMT2AMEN1
SCHEMBL10925259 0.84 MAPT (0.66) IDO1SMN1; SMN2MAPTALDH1A1RAB9A
SCHEMBL10920706 0.82 NAPRT (0.67) SMN1; SMN2MAPTALDH1A1RAB9AGAA
SCHEMBL27733790 0.82 ALDH1A1 (0.61) SMN1; SMN2MAPTALDH1A1MTNR1AMTNR1B
SCHEMBL3959278 0.82 SMN1; SMN2 (0.64) SMN1; SMN2MAPTALDH1A1RAB9AGAA
SCHEMBL8953624 0.81 MTNR1A (0.44) SMN1; SMN2MAPTMTNR1AMTNR1BGAA
SCHEMBL9048923 0.80 ALDH1A1 (0.66) SMN1; SMN2MAPTALDH1A1HTTKMT2A
SCHEMBL9254481 0.79 MAOA (0.40) MAPTALDH1A1MTNR1AMTNR1BTAAR1
SCHEMBL13836493 0.79 ALDH1A1 (0.61) SMN1; SMN2MAPTALDH1A1RAB9AKMT2A
SCHEMBL11642673 0.77 RAB9A (0.52) SMN1; SMN2MAPTALDH1A1MTNR1AMTNR1B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5484786-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS ABBOTT LABORATORIES (US) 1996-01-16 US disclosed
US-5432194-A Antiallergens, antinflammatory agents ABBOTT LABORATORIES (US) 1995-07-11 US disclosed
US-5407959-A Antiallergens, antiinflammatory agents ABBOTT LABORATORIES (US) 1995-04-18 US disclosed
WO-1994026264-A1 (4-ALKOXYPYRAN-4-YL) SUBSTITUTED ARYLALKYLARYL-, ARYLALKENYLARYL-, AND ARYLALKYNYLARYLUREA INHIBITORS OF 5-LIPOXYGENASE ABBOTT LABORATORIES (US) 1994-11-24 WO disclosed