SCHEMBL29942151

SCHEMBL29942151

NC(=O)Cc1c(-c2ccccc2)[nH]c2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.54
SCN9A Q15858 1/20 0.53
ALDH1A1 P00352 2/20 0.53
HTR2A P28223 1/20 0.53
HTR2C P28335 1/20 0.53
KDM4E B2RXH2 1/20 0.53

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
SCHEMBL2961716 1.00 CNR1 (0.54) CNR1SCN9AALDH1A1HTR2AHTR2C
SCHEMBL5211637 0.86 ALDH1A1 (0.68) CNR1ALDH1A1KDM4E
SCHEMBL17683584 0.83 HTR2A (0.56) CNR1ALDH1A1HTR2AHTR2CKDM4E
SCHEMBL3069354 0.82 KDM4E (0.68) ALDH1A1KDM4E
SCHEMBL6624875 0.82 KDM4E (0.68) CNR1ALDH1A1HTR2AHTR2CKDM4E
SCHEMBL22769575 0.81 ESR1 (0.60)
SCHEMBL29819735 0.81 ESR1 (0.60)
SCHEMBL7964387 0.80 KDM4E (0.53) ALDH1A1KDM4E
SCHEMBL3382621 0.80 ALDH1A1 (0.73) ALDH1A1KDM4E
SCHEMBL30254999 0.80 ALDH1A1 (0.73) ALDH1A1KDM4E

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 1 patent. 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