SCHEMBL29887828

SCHEMBL29887828

Cc1cc([N+](=O)[O-])ccc1Oc1ccc2c(c1)ncn2C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.40
KMT2A Q03164 5/20 0.40
MAPT P10636 5/20 0.40
GAA P10253 3/20 0.40
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 3/20 0.39
TBXA2R P21731 5/20 0.39
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRA6 Q16445 1/20 0.38
HPGD P15428 1/20 0.38
HTT P42858 3/20 0.37
LMNA P02545 3/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GLA P06280 1/20 0.37

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
SCHEMBL24569905 1.00 ALDH1A1 (0.40) ALDH1A1KMT2AMAPTGAAKDM4E
SCHEMBL15208411 0.85 ALDH1A1 (0.48) ALDH1A1KMT2AMAPTGAAKDM4E
SCHEMBL29888720 0.84 ALDH1A1 (0.37) ALDH1A1KMT2AMAPTGAASMN1; SMN2
SCHEMBL24569520 0.84 ALDH1A1 (0.37) ALDH1A1KMT2AMAPTGAASMN1; SMN2
SCHEMBL30478701 0.80 TBXA2R (0.40) ALDH1A1KMT2AMAPTGAAKDM4E
SCHEMBL22076864 0.80 TBXA2R (0.40) ALDH1A1KMT2AMAPTGAAKDM4E
SCHEMBL24570249 0.80 L3MBTL1 (0.46) ALDH1A1KMT2AMAPTGAAKDM4E
SCHEMBL29888172 0.80 L3MBTL1 (0.46) ALDH1A1KMT2AMAPTGAAKDM4E
SCHEMBL29025843 0.79 ALDH1A1 (0.41) ALDH1A1KMT2AMAPTGAAKDM4E
SCHEMBL24569883 0.78 PKM (0.47) ALDH1A1KMT2AMAPTGAAKDM4E

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-4267137-A1 LACTAM (HETERO)ARYLFUSEDPYRIMIDINE DERIVATIVES AS INHIBITORS OF ERBB2 Enliven Inc. (US) 2023-11-01 EP disclosed
WO-2022140769-A1 LACTAM (HETERO)ARYLFUSEDPYRIMIDINE DERIVATIVES AS INHIBITORS OF ERBB2 ENLIVEN THERAPEUTICS, INC. (US) 2022-06-30 WO disclosed