SCHEMBL10359093

SCHEMBL10359093

CC(C)C(Br)C(=O)Nc1cc(F)ccc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 2/20 0.44
HTT P42858 2/20 0.43
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
GAA P10253 3/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
POLB P06746 1/20 0.39
RECQL P46063 1/20 0.39
HDAC1 Q13547 1/20 0.38
PKM P14618 1/20 0.38
MAPT P10636 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL10359128 0.88 GAA (0.47) HTTGAAMEN1KMT2APOLB
SCHEMBL4971171 0.83 GAA (0.57) KCNMA1HTTCA12CA1CA2
SCHEMBL4968141 0.82 KCNMA1 (0.53) KCNMA1HTTGAAMEN1KMT2A
SCHEMBL4968419 0.81 KMT2A (0.66) HTTCA12CA1CA2CA9
SCHEMBL10359687 0.79 HTT (0.62) KCNMA1HTTGAAMEN1KMT2A
SCHEMBL4968558 0.79 MEN1 (0.48) HTTGAAMEN1KMT2ARECQL
SCHEMBL18581589 0.78 KDM4E (0.55) HTTCA12CA1CA2CA9
SCHEMBL4970182 0.78 HPGD (0.56) HTTGAAMEN1KMT2APOLB
SCHEMBL4971640 0.77 SMN1; SMN2 (0.58) KCNMA1HTTGAAMEN1KMT2A
SCHEMBL19439524 0.76 HTT (0.66) HTTMEN1KMT2APOLBRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0243018-B1 THIOLACTAM-N-ACETIC ACID DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1990-10-24 EP disclosed
US-4771050-A ALDOSE REDUCTASE INHIBITOR, ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1988-09-13 US disclosed
EP-0243018-A1 Thiolactam-N-acetic acid derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1987-10-28 EP disclosed