SCHEMBL31032276

SCHEMBL31032276

CC(C)(C#N)c1cc(C(=O)O)ccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 5/20 0.47
KDM4E B2RXH2 3/20 0.47
KDM6B O15054 3/20 0.47
KDM5C P41229 3/20 0.47
KDM2A Q9Y2K7 3/20 0.47
KDM3A Q9Y4C1 3/20 0.47
KDM4A O75164 2/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM5A P29375 2/20 0.47
KDM5B Q9UGL1 2/20 0.47
TET3 O43151 1/20 0.47
BBOX1 O75936 1/20 0.47
MAPT P10636 1/20 0.47
ASPH Q12797 1/20 0.47
KDM4D Q6B0I6 1/20 0.47
TET2 Q6N021 1/20 0.47
ALKBH5 Q6P6C2 1/20 0.47
KDM7A Q6ZMT4 1/20 0.47
KDM8 Q8N371 1/20 0.47
TET1 Q8NFU7 1/20 0.47

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
SCHEMBL3942944 1.00 KDM4C (0.47) KDM4CKDM4EKDM6BKDM5CKDM2A
SCHEMBL20008477 0.86 MYC (0.46) KDM5CKDM5BLMNASMN1; SMN2RAF1
SCHEMBL25701324 0.86 RAF1 (0.41) LMNASMN1; SMN2RAF1BRAFNPC1
SCHEMBL1759647 0.81 LMNA (0.62) KDM4CKDM4EKDM6BKDM5CKDM2A
SCHEMBL25225199 0.80 JMJD6 (0.48) ALDH1A1RAF1BRAFJMJD6
SCHEMBL29537110 0.80 JMJD6 (0.48) ALDH1A1RAF1BRAFJMJD6
SCHEMBL16094544 0.80 KDM4C (0.53) KDM4CKDM4EKDM6BKDM5CKDM2A
SCHEMBL16095006 0.80 KDM4C (0.53) KDM4CKDM4EKDM6BKDM5CKDM2A
SCHEMBL30069005 0.80 KDM4C (0.53) KDM4CKDM4EKDM6BKDM5CKDM2A
SCHEMBL30893039 0.78 KDM4C (0.52) KDM4CKDM4EKDM6BKDM5CKDM2A

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-118159537-A 6-Aza-quinoline derivatives and related uses 黑钻治疗公司 2024-06-07 CN disclosed