SCHEMBL11209714

SCHEMBL11209714

CC(=O)Nc1ccc(CC(C)C)cc1Br

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
TSHR P16473 2/20 0.47
RXFP1 Q9HBX9 1/20 0.44
CHRM1 P11229 1/20 0.43
PDE4A P27815 1/20 0.43
KMT2A Q03164 1/20 0.42
ALOX5 P09917 2/20 0.41
ALDH1A1 P00352 1/20 0.41
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
PTGS1 P23219 3/20 0.39
PTGS2 P35354 3/20 0.39
LMNA P02545 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
SCHEMBL3428272 0.83 TSHR (0.48) TSHRCHRM1PDE4AKMT2AALOX5
SCHEMBL4414780 0.82 CA1 (0.55) CA1CA2CA9RXFP1KMT2A
SCHEMBL27849573 0.81 CA1 (0.58) CA1CA2CA9RXFP1KMT2A
SCHEMBL11494174 0.79 CA1 (0.53) CA1CA2CA9TSHRRXFP1
SCHEMBL8229682 0.78 TSHR (0.47) CA1CA2CA9TSHRCHRM1
SCHEMBL8349138 0.78 ALDH1A1 (0.51) TSHRKMT2AALDH1A1POLB
SCHEMBL23635271 0.78 MAPT (0.47) TSHRKMT2AALDH1A1RAB9AMAPT
SCHEMBL13978694 0.77 CA1 (0.50) CA1CA2CA9RXFP1KMT2A
SCHEMBL12598866 0.77 CA1 (0.50) CA1CA2CA9RXFP1ALDH1A1
SCHEMBL11845132 0.76 GABRA1 (0.36) CA1CA2CA9TSHRCHRM1

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
EP-0034292-B1 PROCESS FOR THE PREPARATION OF ANTHRANILIC ACID DERIVATIVES F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1983-11-23 EP disclosed
EP-0034292-A2 Process for the preparation of anthranilic acid derivatives F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1981-08-26 EP disclosed