SCHEMBL30239656

SCHEMBL30239656

CNc1ccncc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.61
HTT P42858 3/20 0.58
RAB9A P51151 1/20 0.58
GAA P10253 1/20 0.57
MAPT P10636 1/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
HCAR3 P49019 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
MAPK1 P28482 1/20 0.41
AOC1 P19801 1/20 0.41
AOC3 Q16853 1/20 0.41
GALR2 O43603 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL186601 1.00 ALDH1A1 (0.61) ALDH1A1HTTRAB9AGAAMAPT
SCHEMBL18232337 0.85 ALDH1A1 (0.49) ALDH1A1HTTRAB9AGAAMAPT
SCHEMBL27755590 0.81 ALDH1A1 (0.61) ALDH1A1HTTRAB9AGAAMAPT
SCHEMBL28801025 0.81 ALDH1A1 (0.61) ALDH1A1HTTRAB9AGAAMAPT
SCHEMBL9469139 0.81 ALDH1A1 (0.61) ALDH1A1HTTRAB9AGAAMAPT
SCHEMBL10283705 0.81 KDM4C (0.47) ALDH1A1HTTRAB9AGAAMAPT
SCHEMBL23852951 0.81 ALDH1A1 (0.56) ALDH1A1HTTRAB9AGAAMAPT
SCHEMBL2337025 0.81 ALDH1A1 (0.56) ALDH1A1HTTRAB9AGAAMAPT
SCHEMBL16657359 0.81 ALDH1A1 (0.56) ALDH1A1HTTRAB9AGAAMAPT
SCHEMBL9426306 0.80 ALDH1A1 (0.55) ALDH1A1HTTRAB9AGAAMAPT

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-4373816-A1 INHIBITORS TARGETING UBIQUITIN SPECIFIC PROTEASE 7 (USP7) Dana-Farber Cancer Institute, Inc. (US) 2024-05-29 EP disclosed
WO-2023003973-A1 INHIBITORS TARGETING UBIQUITIN SPECIFIC PROTEASE 7 (USP7) DANA-FARBER CANCER INSTITUTE, INC. (US) 2023-01-26 WO disclosed