SCHEMBL20899604

SCHEMBL20899604

COc1cc([N+](=O)[O-])ccc1N1CCN(C(=O)O)CC1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.59
MAPT P10636 7/20 0.59
LMNA P02545 6/20 0.59
SMN1; SMN2 Q16637 5/20 0.59
MAPK1 P28482 1/20 0.59
SLC6A5 Q9Y345 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.53
SLC6A9 P48067 1/20 0.51
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 1/20 0.50
MEN1 O00255 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL15658784 0.90 LMNA (0.56) ALDH1A1MAPTLMNASMN1; SMN2MAPK1
SCHEMBL17630265 0.90 LMNA (0.66) ALDH1A1MAPTLMNASMN1; SMN2MAPK1
SCHEMBL15658785 0.90 LMNA (0.56) ALDH1A1MAPTLMNASMN1; SMN2MAPK1
SCHEMBL574625 0.89 MAPT (0.49) ALDH1A1MAPTLMNASMN1; SMN2MAPK1
SCHEMBL574624 0.89 MAPT (0.49) ALDH1A1MAPTLMNASMN1; SMN2MAPK1
SCHEMBL6808636 0.85 ALDH1A1 (0.67) ALDH1A1MAPTLMNASMN1; SMN2MAPK1
SCHEMBL29803356 0.85 ALDH1A1 (0.67) ALDH1A1MAPTLMNASMN1; SMN2MAPK1
SCHEMBL4509252 0.84 ALDH1A1 (0.50) ALDH1A1MAPTLMNASMN1; SMN2MAPK1
SCHEMBL4509247 0.84 ALDH1A1 (0.50) ALDH1A1MAPTLMNASMN1; SMN2MAPK1
SCHEMBL29556577 0.84 ALDH1A1 (0.64) ALDH1A1MAPTLMNASMN1; SMN2MAPK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3752491-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS Nuvation Bio Inc. (US) 2020-12-23 EP disclosed
EP-3694509-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF Nuvation Bio Inc. (US) 2020-08-19 EP disclosed
WO-2019161224-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS GiraFpharma LLC (US) 2019-08-22 WO disclosed
WO-2019074981-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF GiraFpharma LLC (US) 2019-04-18 WO disclosed