SCHEMBL7616356

SCHEMBL7616356

O=C(Oc1ccc(CBr)cc1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.59
CES1 P23141 1/20 0.59
PARP10 Q53GL7 1/20 0.59
KMT2A Q03164 12/20 0.56
MAPT P10636 5/20 0.56
TDP1 Q9NUW8 2/20 0.56
ALDH1A1 P00352 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
PKM P14618 1/20 0.56
MEN1 O00255 3/20 0.54
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.49
CASP3 P42574 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
HSD17B10 Q99714 1/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47

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
SCHEMBL8983809 0.93 CES2 (0.59) CES2CES1PARP10KMT2AMAPT
SCHEMBL9699295 0.89 MAPT (0.49) CES2CES1PARP10KMT2AMAPT
SCHEMBL28635017 0.87 PARP10 (0.47) CES2CES1PARP10KMT2AMAPT
SCHEMBL12199140 0.85 PARP10 (0.62) PARP10KMT2AMAPTTDP1ALDH1A1
SCHEMBL725405 0.84 PARP10 (0.77) PARP10KMT2AMAPTTDP1ALDH1A1
SCHEMBL9339348 0.84 KMT2A (0.53) CES2CES1PARP10KMT2AMAPT
SCHEMBL4905240 0.84 KMT2A (0.62) PARP10KMT2AMAPTTDP1ALDH1A1
SCHEMBL8210785 0.84 PARP10 (0.61) PARP10KMT2AMAPTTDP1ALDH1A1
SCHEMBL1546405 0.84 PARP10 (0.61) PARP10KMT2AMAPTTDP1ALDH1A1
SCHEMBL10608864 0.84 PARP10 (0.61) PARP10KMT2AMAPTTDP1ALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113444099-B Reaction type hydrogen sulfide fluorescent probe and preparation and application thereof 浙江大学城市学院 2022-06-21 CN disclosed
EP-1150673-A4 MONO-ACYLOXY ARALKYL NEUROMUSCULAR RELAXANTS NEWLAXANT L L C (US) 2002-04-24 EP disclosed
CN-1338934-A Mono-acyloxy aralkyl neuronuscular relaxants NEWLAXANT L L C (US) 2002-03-06 CN disclosed
EP-1150673-A1 MONO-ACYLOXY ARALKYL NEUROMUSCULAR RELAXANTS Newlaxant, L.L.C. (US) 2001-11-07 EP disclosed
WO-2000044377-A1 MONO-ACYLOXY ARALKYL NEUROMUSCULAR RELAXANTS NEWLAXANT, L.L.C. (US) 2000-08-03 WO disclosed
US-5288871-A Modify balance between rates of bone resorption and formation AMERICAN HOME PRODUCTS CORPORATION (US) 1994-02-22 US disclosed
US-4335052-A OXIDATION OF CORRESPONDING BENZYL HALIDE WITH TERITARY AMINE OXIDEIN PRESENCE OF WATER DYNAMIT NOBEL AKTIENGESELLSCHAFT (DE) 1982-06-15 US disclosed