SCHEMBL8699121

SCHEMBL8699121

COC(=O)c1cc(Cl)ccc1OCN

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.55
LMNA P02545 1/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPT P10636 2/20 0.47
NR4A2 P43354 2/20 0.46
GAA P10253 2/20 0.46
TSHR P16473 1/20 0.46
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
MRGPRX4 Q96LA9 1/20 0.45
ALDH1A1 P00352 1/20 0.45
S1PR4 O95977 1/20 0.44
SMN1; SMN2 Q16637 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
Hydrochloric Acid SCHEMBL1505031 0.87 ABL1 (0.51) ABL1LMNAMEN1KMT2AMAPT
SCHEMBL17040919 0.86 SMN1; SMN2 (0.58) ABL1LMNAMEN1KMT2AMAPT
SCHEMBL22175914 0.85 MAPT (0.50) ABL1LMNAMEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL1505095 0.85 MAPT (0.50) ABL1LMNAMEN1KMT2AMAPT
SCHEMBL3142232 0.84 ABL1 (0.51) ABL1LMNAMEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL22164302 0.84 MAPT (0.49) ABL1LMNAMEN1KMT2AMAPT
SCHEMBL13446708 0.84 NPC1 (0.54) LMNAKMT2AMAPTGAATSHR
SCHEMBL22176521 0.83 ABL1 (0.48) ABL1LMNAMEN1KMT2AMAPT
SCHEMBL25337618 0.83 PTGDR (0.56) ABL1LMNAMEN1KMT2AMAPT
SCHEMBL6421995 0.83 SLC6A4 (0.51) ABL1LMNAMEN1KMT2AMAPT

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-5792767-A TREATMENT OF BENIGN PROSTATIC HYPERTROPY ABBOTT LABORATORIES (US) 1998-08-11 US disclosed