SCHEMBL11580418

SCHEMBL11580418

Cc1cccc(Br)c1NC(=N)NC(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2B P41595 1/20 0.44
PKM P14618 1/20 0.43
POLB P06746 5/20 0.43
ALDH1A1 P00352 4/20 0.40
F2 P00734 1/20 0.38
F10 P00742 1/20 0.38
PLG P00747 1/20 0.38
PLAU P00749 1/20 0.38
PLAT P00750 1/20 0.38
KLK1 P06870 1/20 0.38
KLK5 Q9Y337 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38

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
SCHEMBL6692615 0.89 DRD2 (0.54) DRD2HTR2AHTR2BPKMPOLB
SCHEMBL11096071 0.89 GAA (0.37) DRD2HTR2AHTR2BPOLBPLG
SCHEMBL11665157 0.88 DRD2 (0.40) DRD2HTR2AHTR2BPKMPOLB
Hydrochloric Acid SCHEMBL11258555 0.87 PKM (0.55) DRD2HTR2AHTR2BPKMPOLB
SCHEMBL9081663 0.84 ALDH1A1 (0.43) DRD2HTR2AHTR2BPOLBALDH1A1
SCHEMBL11253091 0.82 ALDH1A1 (0.40) DRD2HTR2AHTR2BPKMPOLB
SCHEMBL11093150 0.82 CYP1A2 (0.43) F2F10PLAUPLATKMT2A
SCHEMBL11582985 0.82 HTT (0.40) ALDH1A1HDAC1KMT2AMEN1
SCHEMBL11579586 0.82 DRD2 (0.44) DRD2HTR2AHTR2BPKMPOLB
SCHEMBL4099006 0.82 GAA (0.51) DRD2HTR2AHTR2BPKMPOLB

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-4088785-A HYPOTENSIVE AGENTS WILLIAM H. RORER, INC. (US) 1978-05-09 US disclosed