SCHEMBL11216293

SCHEMBL11216293

CC(=O)Nc1c(Br)cc(C(C)C)cc1C(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.48
P2RX4 Q99571 1/20 0.48
GAA P10253 2/20 0.45
FABP3 P05413 2/20 0.44
FABP4 P15090 2/20 0.44
FABP5 Q01469 1/20 0.40
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
KDM4E B2RXH2 1/20 0.36
LPAR1 Q92633 1/20 0.35
KCNJ11 Q14654 1/20 0.34
RIPK1 Q13546 1/20 0.34
NPC1 O15118 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
NLRP3 Q96P20 1/20 0.33

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
SCHEMBL14410288 0.90 POLB (0.52) POLBP2RX4GAAFABP3FABP4
SCHEMBL27419002 0.88 FABP3 (0.52) POLBP2RX4GAAFABP3FABP4
SCHEMBL27538330 0.78 GAA (0.42) GAAFABP3FABP4FABP5KDM4E
SCHEMBL3978690 0.75 KMT2A (0.50) GAALPAR1RIPK1SMN1; SMN2NLRP3
SCHEMBL13592557 0.73 GAA (0.52) GAALPAR1SMN1; SMN2NLRP3ALDH1A1
SCHEMBL6682827 0.72 GABRA1 (0.63) GAAFABP3FABP4FABP5GABRA1
SCHEMBL20915178 0.72 GAA (0.50) GAAGABRA1GABRB2SMN1; SMN2ALDH1A1
SCHEMBL3983979 0.71 CA1 (0.55) POLBP2RX4GAANPC1CASP3
SCHEMBL6100378 0.71 SMN1; SMN2 (0.46) POLBP2RX4FABP3FABP4FABP5
SCHEMBL6354671 0.70 ALDH1A1 (0.44) KCNJ11RAB9ACA1CA2CA9

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