SCHEMBL21067503

SCHEMBL21067503

O=C1c2ccccc2NC1C1C(=O)Nc2ccc(Br)cc21

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 6/20 0.47
MAPT P10636 5/20 0.47
POLB P06746 1/20 0.47
LMNA P02545 3/20 0.43
NQO2 P16083 1/20 0.41
ALDH1A1 P00352 2/20 0.39
USP2 O75604 1/20 0.39
CYP1A2 P05177 1/20 0.39
MAPK1 P28482 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
KDM4E B2RXH2 1/20 0.38

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
SCHEMBL16986622 0.89 CYP1A2 (0.42) TP53MAPTPOLBLMNAALDH1A1
SCHEMBL23752444 0.89 MAPT (0.44) TP53MAPTPOLBLMNANQO2
SCHEMBL9899341 0.84 IDO1 (0.45) MAPTLMNAALDH1A1KDM4E
SCHEMBL19854691 0.76 PTPRC (0.46) TP53MAPTLMNAALDH1A1CYP1A2
SCHEMBL4997975 0.74 DYRK2 (0.52) TP53MAPTPOLBLMNANQO2
SCHEMBL11021673 0.71 PGR (0.44) TP53MAPTPOLBLMNANQO2
SCHEMBL19568178 0.70 TSHR (0.50) POLBLMNAALDH1A1MAPK1KDM4E
SCHEMBL6557130 0.70 TSHR (0.50) POLBLMNAALDH1A1MAPK1KDM4E
SCHEMBL19854635 0.69 S100A4 (0.43) CYP1A2MAPK1
SCHEMBL20402831 0.69 DYRK2 (0.47) TP53MAPTKDM4E

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
US-11446398-B2 Regulated biocircuit systems OBSIDIAN THERAPEUTICS, INC. (US) 2022-09-20 US disclosed
US-20190192691-A1 REGULATED BIOCIRCUIT SYSTEMS OBSIDIAN THERAPEUTICS, INC. 2019-06-27 US disclosed