SCHEMBL21067641

SCHEMBL21067641

O=C(O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.65
SMN1; SMN2 Q16637 3/20 0.65
RAB9A P51151 1/20 0.65
ALDH1A1 P00352 6/20 0.61
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
POLB P06746 1/20 0.61
MAPK1 P28482 2/20 0.56
NPSR1 Q6W5P4 2/20 0.56
LMNA P02545 2/20 0.56
HTT P42858 2/20 0.56
KDM4E B2RXH2 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.47
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL3063864 0.89 MAPT (0.65) MAPTSMN1; SMN2RAB9AALDH1A1MEN1
SCHEMBL14267957 0.88 MAPT (0.64) MAPTSMN1; SMN2RAB9AALDH1A1MEN1
SCHEMBL3362738 0.85 MAPT (0.75) MAPTSMN1; SMN2RAB9AALDH1A1MEN1
SCHEMBL14267959 0.84 MAPT (0.60) MAPTSMN1; SMN2RAB9AALDH1A1MEN1
SCHEMBL30775594 0.79 ALDH1A1 (0.66) MAPTSMN1; SMN2RAB9AALDH1A1MEN1
SCHEMBL2636529 0.79 ALDH1A1 (0.66) MAPTSMN1; SMN2RAB9AALDH1A1MEN1
SCHEMBL10028049 0.78 MAPT (0.66) MAPTSMN1; SMN2RAB9AALDH1A1MEN1
SCHEMBL2636854 0.78 ALDH1A1 (0.68) MAPTALDH1A1MEN1KMT2ANPSR1
SCHEMBL1317292 0.76 KMT2A (0.66) MAPTSMN1; SMN2RAB9AALDH1A1MEN1
SCHEMBL13809595 0.76 MAPT (0.63) MAPTSMN1; SMN2RAB9AALDH1A1MEN1

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
US-11446398-B2 Regulated biocircuit systems OBSIDIAN THERAPEUTICS, INC. (US) 2022-09-20 US disclosed
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 US disclosed
US-20190192691-A1 REGULATED BIOCIRCUIT SYSTEMS OBSIDIAN THERAPEUTICS, INC. 2019-06-27 US disclosed