SCHEMBL25955665

SCHEMBL25955665

Cc1cnc(O)c([N+](=O)[O-])c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
ALDH1A1 P00352 6/20 0.41
TDP1 Q9NUW8 1/20 0.41
GRIN2D O15399 2/20 0.37
GRIN3B O60391 2/20 0.37
GRIN1 Q05586 2/20 0.37
GRIN2A Q12879 2/20 0.37
GRIN2B Q13224 2/20 0.37
GRIN2C Q14957 2/20 0.37
GRIN3A Q8TCU5 2/20 0.37
TSHR P16473 2/20 0.36
GPR35 Q9HC97 2/20 0.34
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 1/20 0.33

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
SCHEMBL8194928 0.85 ALDH1A1 (0.41) MEN1KMT2AALDH1A1TDP1GRIN2D
SCHEMBL17084499 0.83 GPR35 (0.41) MEN1KMT2AALDH1A1TDP1TSHR
SCHEMBL18937751 0.81 MAPT (0.36) MEN1KMT2AALDH1A1TDP1HPGD
SCHEMBL31347217 0.81 GRIN2D (0.40) MEN1KMT2AALDH1A1TDP1GRIN2D
SCHEMBL1366268 0.81 GRIN2D (0.40) MEN1KMT2AALDH1A1TDP1GRIN2D
SCHEMBL9942607 0.81 TDP1 (0.34) MEN1KMT2AALDH1A1TDP1TSHR
SCHEMBL8884167 0.77 MEN1 (0.42) MEN1KMT2AALDH1A1TDP1GRIN2D
SCHEMBL10415524 0.77 ALDH1A1 (0.46) MEN1KMT2AALDH1A1TDP1SMN1; SMN2
SCHEMBL17517329 0.74 MEN1 (0.41) MEN1KMT2AALDH1A1TDP1GRIN2D
SCHEMBL31539684 0.73 ALDH1A1 (0.41) MEN1KMT2AALDH1A1TDP1GRIN2D

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
EP-4218766-A1 1H-PYRROLO[2,3-C]PYRIDIN-7(6H)-ONES AND PYRAZOLO[3,4-C]PYRIDIN-7(6H)-ONES AS INHIBITORS OF BET PROTEINS Incyte Holdings Corporation (US) 2023-08-02 EP disclosed