Hypochlorous Acid

Hypochlorous Acid

SCHEMBL21486160

Cc1ccn2cc(-c3cc4cnc(N5CCNCC5)cc4oc3=O)nc2c1.OCl

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.56
NPC1 O15118 3/20 0.56
ALDH1A1 P00352 3/20 0.56
MAPT P10636 2/20 0.56
POLB P06746 1/20 0.56
NFKB1 P19838 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
ESR1 P03372 1/20 0.47
SUV39H2 Q9H5I1 11/20 0.44
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
LMNA P02545 1/20 0.41
PKM P14618 1/20 0.41
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TLR9 Q9NR96 3/20 0.39
TLR7 Q9NYK1 3/20 0.39

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
SCHEMBL15230313 0.97 RAB9A (0.59) RAB9ANPC1ALDH1A1MAPTPOLB
Hydrochloric Acid SCHEMBL15230096 0.96 RAB9A (0.58) RAB9ANPC1ALDH1A1MAPTPOLB
SCHEMBL15244089 0.88 RAB9A (0.59) RAB9ANPC1ALDH1A1MAPTPOLB
Hypochlorous Acid SCHEMBL21486060 0.87 NPC1 (0.57) RAB9ANPC1ALDH1A1MAPTPOLB
SCHEMBL15230094 0.86 NPC1 (0.48) RAB9ANPC1ALDH1A1MAPTPOLB
Hypochlorous Acid SCHEMBL21486034 0.85 RAB9A (0.55) RAB9ANPC1ALDH1A1MAPTPOLB
SCHEMBL15231111 0.84 NPC1 (0.60) RAB9ANPC1ALDH1A1MAPTPOLB
Hydrochloric Acid SCHEMBL15230826 0.83 NPC1 (0.59) RAB9ANPC1ALDH1A1MAPTPOLB
SCHEMBL15230317 0.82 NPC1 (0.51) RAB9ANPC1ALDH1A1MAPTPOLB
SCHEMBL15068901 0.82 RAB9A (0.64) RAB9ANPC1ALDH1A1MAPTPOLB

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
EP-2819519-B1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS INC (US) 2019-10-23 EP claimed