SCHEMBL25347

SCHEMBL25347

CC(=O)NC1CCc2cc(Br)ccc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.63
CA7 P43166 5/20 0.63
CA14 Q9ULX7 5/20 0.63
CA1 P00915 4/20 0.63
CA2 P00918 4/20 0.63
CA9 Q16790 4/20 0.63
TRPV1 Q8NER1 1/20 0.51
SRD5A1 P18405 1/20 0.44
LMNA P02545 4/20 0.43
KMT2A Q03164 3/20 0.43
PAX8 Q06710 1/20 0.43
CYP2C9 P11712 2/20 0.42
TSHR P16473 2/20 0.42
MITF O75030 1/20 0.42
GMNN O75496 1/20 0.42
SLC22A3 O75751 1/20 0.42
TUBB4A P04350 1/20 0.42
TP53 P04637 1/20 0.42
CYP1A2 P05177 1/20 0.42
TUBB P07437 1/20 0.42

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
SCHEMBL31056804 1.00 CA12 (0.63) CA12CA7CA14CA1CA2
SCHEMBL1882152 0.86 TRPV1 (0.52) CA12CA7CA14CA1CA2
SCHEMBL1787681 0.84 CA12 (0.49) CA12CA7CA14CA1CA2
SCHEMBL10586238 0.83 CA1 (0.64) CA12CA7CA14CA1CA2
SCHEMBL31730518 0.82 CA12 (0.46) CA12CA7CA14CA1CA2
SCHEMBL2575691 0.82 CA12 (0.63) CA12CA7CA14CA1CA2
SCHEMBL599644 0.82 CA12 (0.63) CA12CA7CA14CA1CA2
SCHEMBL31055992 0.82 CA12 (0.67) CA12CA7CA14CA1CA2
SCHEMBL31056148 0.82 CA12 (0.67) CA12CA7CA14CA1CA2
SCHEMBL29516137 0.82 CA12 (0.63) CA12CA7CA14CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024178390-A1 COVALENT MODIFIERS OF AKT1 AND USES THEREOF TERREMOTO BIOSCIENCES, INC. (US) 2024-08-29 WO disclosed
WO-2012026403-A1 CONDENSED RING COMPOUND 日本曹達株式会社 (JP) 2012-03-01 WO disclosed