SCHEMBL31319635

SCHEMBL31319635

CCCc1cc([N+](=O)[O-])n[nH]1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 7/20 0.49
HCAR3 P49019 4/20 0.41
KDM4E B2RXH2 1/20 0.40
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CCNA1 P78396 1/20 0.38
NPBWR1 P48145 1/20 0.35
PIM3 Q86V86 1/20 0.35
ALDH1A1 P00352 2/20 0.34
APOBEC3G Q9HC16 1/20 0.33
MPO P05164 1/20 0.33
TPO P07202 1/20 0.33
TSHR P16473 1/20 0.33
LPO P22079 1/20 0.33
CYP2C19 P33261 1/20 0.33
TAS2R38 P59533 1/20 0.33
GLA P06280 1/20 0.32

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
SCHEMBL10399847 0.87 HCAR2 (0.54) HCAR2HCAR3ALDH1A1
SCHEMBL12200985 0.85 HCAR2 (0.46) HCAR2KDM4ECCNA2CDK2CCNA1
SCHEMBL14714005 0.78 MEN1 (0.30) KDM4EALDH1A1APOBEC3GTSHRCYP2C19
SCHEMBL173914 0.78 HCAR2 (0.47) HCAR2KDM4EALDH1A1GLA
SCHEMBL16622728 0.75 LMNA (0.35)
SCHEMBL2427435 0.75
SCHEMBL27683382 0.74 CYP1A2 (0.38) HCAR2KDM4ECDK2ALDH1A1TSHR
SCHEMBL28079252 0.71 HCAR2 (0.32) HCAR2
SCHEMBL12197657 0.70 ALDH1A1 (0.41) NPBWR1ALDH1A1
Ethane SCHEMBL28967597 0.69 HPGD (0.39) KDM4EALDH1A1TSHR

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
WO-2025038863-A1 INDOLE AND PYRROLOYPYRIDINE DERIVATIVES AS GPR17 MODULATORS BIOGEN MA INC. (US) 2025-02-20 WO disclosed