SCHEMBL31484401

SCHEMBL31484401

Cc1cc2c(C)ncc([N+](=O)[O-])c2s1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 7/20 0.35
MAPT P10636 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
GAA P10253 1/20 0.34
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
GPR35 Q9HC97 1/20 0.33
MITF O75030 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TDP1 Q9NUW8 2/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
RAB9A P51151 1/20 0.32
KDM4E B2RXH2 1/20 0.32
PSMB8 P28062 1/20 0.32
HPGD P15428 2/20 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
SCHEMBL31484402 0.84 NPC1 (0.34) SMN1; SMN2ALDH1A1MAPTCYP1A2CYP2C9
SCHEMBL31484416 0.74 MEN1 (0.39) SMN1; SMN2ALDH1A1MAPTCYP1A2CYP2C19
SCHEMBL31271045 0.72 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1MAPTCYP1A2CYP2C9
SCHEMBL9838258 0.72 MAPT (0.47) SMN1; SMN2ALDH1A1MAPTCYP1A2CYP2C9
SCHEMBL9836921 0.72 MAPT (0.36) SMN1; SMN2ALDH1A1MAPTCYP1A2CYP2C9
SCHEMBL31484430 0.70 KDM4E (0.50) ALDH1A1MAPTCYP1A2CYP3A4TSHR
SCHEMBL12314708 0.69 TDP1 (0.50) SMN1; SMN2ALDH1A1MAPTCYP1A2CYP2C19
SCHEMBL10480000 0.68 SMN1; SMN2 (0.36) SMN1; SMN2ALDH1A1MAPTCYP3A4TSHR
SCHEMBL761929 0.66 SMN1; SMN2 (0.57) SMN1; SMN2ALDH1A1MAPTCYP1A2CYP2C9
SCHEMBL31484441 0.66 LMNA (0.39) SMN1; SMN2ALDH1A1MAPTCYP1A2CYP2C9

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
CN-119431381-A Heterocyclic compounds and application thereof 上海艾力斯医药科技股份有限公司 2025-02-14 CN disclosed