SCHEMBL29066537

SCHEMBL29066537

CC(C)N(C(=O)Oc1ccc([N+](=O)[O-])c2cccnc12)C(C)C

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JMJD7 P0C870 1/20 0.56
MAPT P10636 12/20 0.53
KMT2A Q03164 7/20 0.53
ALDH1A1 P00352 6/20 0.53
KDM4E B2RXH2 6/20 0.53
MEN1 O00255 6/20 0.53
LMNA P02545 5/20 0.53
CTSB P07858 4/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
HTT P42858 3/20 0.53
ALOX12 P18054 2/20 0.53
NPC1 O15118 1/20 0.53
BRD4 O60885 1/20 0.53
HSP90AA1 P07900 1/20 0.53
CHRM1 P11229 1/20 0.53
DRD2 P14416 1/20 0.53
ADRA2B P18089 1/20 0.53
ADRA2C P18825 1/20 0.53
CHRM3 P20309 1/20 0.53
HTR2C P28335 1/20 0.53

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
SCHEMBL23698707 0.88 KDM4E (0.65) JMJD7MAPTKMT2AALDH1A1KDM4E
SCHEMBL29066538 0.85 KDM4E (0.67) JMJD7MAPTKMT2AALDH1A1KDM4E
SCHEMBL29066519 0.83 KDM4E (0.56) JMJD7MAPTKMT2AALDH1A1KDM4E
SCHEMBL6974167 0.82 JMJD7 (0.63) JMJD7MAPTKMT2AALDH1A1KDM4E
SCHEMBL28433932 0.82 JMJD7 (0.57) JMJD7MAPTKMT2AALDH1A1KDM4E
SCHEMBL21816873 0.82 JMJD7 (0.53) JMJD7MAPTKMT2AALDH1A1KDM4E
SCHEMBL30421287 0.82 JMJD7 (0.53) JMJD7MAPTKMT2AALDH1A1KDM4E
SCHEMBL23698662 0.81 JMJD7 (0.52) JMJD7MAPTKMT2AALDH1A1KDM4E
SCHEMBL24048382 0.81 JMJD7 (0.56) JMJD7MAPTKMT2AALDH1A1KDM4E
SCHEMBL29066525 0.81 JMJD7 (0.49) JMJD7MAPTKMT2AALDH1A1KDM4E

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
CN-116283764-A Nitroquinoline prodrug, preparation method and application thereof 江苏亚虹医药科技股份有限公司 2023-06-23 CN disclosed
CN-116283763-A Nitroquinoline prodrug, preparation method and application thereof 江苏亚虹医药科技股份有限公司 2023-06-23 CN disclosed