SCHEMBL11545241

SCHEMBL11545241

O=C(Nc1c(Cl)cc(C(=O)CBr)cc1Cl)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.53
P2RX7 Q99572 1/20 0.51
MEN1 O00255 2/20 0.48
ALDH1A1 P00352 2/20 0.48
LMNA P02545 2/20 0.48
MAPT P10636 2/20 0.48
OPRK1 P41145 2/20 0.48
KMT2A Q03164 2/20 0.48
BACE1 P56817 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MGLL Q99685 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
POLB P06746 1/20 0.46
PTPN7 P35236 1/20 0.45
OPRM1 P35372 1/20 0.45
HTT P42858 1/20 0.45
DUSP3 P51452 1/20 0.45
KAT2B Q92831 1/20 0.43

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
SCHEMBL11548757 0.84 BACE1 (0.56) SMN1; SMN2P2RX7MEN1ALDH1A1LMNA
SCHEMBL11546525 0.80 NLRP3 (0.49) SMN1; SMN2MEN1ALDH1A1KMT2ANPSR1
SCHEMBL11552737 0.79 GSK3B (0.42) MEN1ALDH1A1MAPTKMT2ARAB9A
SCHEMBL1160190 0.79 POLB (0.61) SMN1; SMN2ALDH1A1MAPTKMT2AMGLL
SCHEMBL4066082 0.78 MGLL (0.65) SMN1; SMN2ALDH1A1MAPTMGLLNPC1
SCHEMBL11546203 0.77 HPGD (0.44) SMN1; SMN2MEN1ALDH1A1LMNAKMT2A
SCHEMBL11549836 0.76 HPGD (0.39) SMN1; SMN2ALDH1A1LMNANPSR1NPC1
SCHEMBL11547089 0.76 KMT2A (0.51) SMN1; SMN2MEN1LMNAMAPTKMT2A
SCHEMBL872000 0.74 NPC1 (0.55) SMN1; SMN2P2RX7OPRK1MGLLNPC1
SCHEMBL16755148 0.73 GCK (0.50) SMN1; SMN2MEN1MAPTKMT2AMGLL

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-4145363-A ANTIASTHMATICS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1979-03-20 US disclosed
US-4063025-A PROPHYLAXIS, ANTIASTHMATIC YAMANOUCHI PHARMACEUTICAL CO., LTD. (JA) 1977-12-13 US disclosed