SCHEMBL8284247

SCHEMBL8284247

O=C(NC1(C(=O)Nc2ccc(N3CCCNCC3)c(Cl)c2)CCOCC1)c1ccc(Br)s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.45
SMN1; SMN2 Q16637 10/20 0.44
MAPT P10636 9/20 0.44
ALDH1A1 P00352 9/20 0.44
RAB9A P51151 8/20 0.44
HTT P42858 7/20 0.44
LMNA P02545 7/20 0.44
NPC1 O15118 6/20 0.44
MEN1 O00255 6/20 0.44
KMT2A Q03164 6/20 0.44
HPGD P15428 4/20 0.44
TP53 P04637 3/20 0.44
MAPK1 P28482 2/20 0.44
USP2 O75604 1/20 0.44
GAA P10253 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
TSHR P16473 2/20 0.40
KCNH2 Q12809 1/20 0.40

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
SCHEMBL6462240 0.87 F10 (0.46) F10SMN1; SMN2MAPTALDH1A1RAB9A
SCHEMBL6457967 0.81 NPC1 (0.46) F10SMN1; SMN2MAPTALDH1A1RAB9A
SCHEMBL4465226 0.79 F10 (0.58) F10SMN1; SMN2MAPTALDH1A1RAB9A
SCHEMBL4463938 0.79 F10 (0.58) F10SMN1; SMN2MAPTALDH1A1RAB9A
SCHEMBL6457978 0.78 F10 (0.46) F10SMN1; SMN2MAPTALDH1A1RAB9A
SCHEMBL4465515 0.78 F10 (0.48) F10SMN1; SMN2MAPTALDH1A1RAB9A
SCHEMBL6459518 0.78 F10 (0.48) F10SMN1; SMN2MAPTALDH1A1RAB9A
SCHEMBL4463507 0.78 F10 (0.68) F10CTSLCTSBCTSS
SCHEMBL4479375 0.78 F10 (0.57) F10SMN1; SMN2MAPTALDH1A1RAB9A
SCHEMBL4471694 0.78 F10 (0.68) F10

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
WO-2005111013-A1 SUBSTITUTED THIOPHENE-2-CARBOXYLIC ACID AMIDES, THE PRODUCTION THEREOF AND THE USE THEREOF AS DRUGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-24 WO disclosed