SCHEMBL29643231

SCHEMBL29643231

CCn1c2ccc(C(=O)O)cc2c2ncccc21

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.60
HPGD P15428 3/20 0.53
ALDH1A1 P00352 2/20 0.53
MEN1 O00255 2/20 0.52
MAPT P10636 2/20 0.52
KMT2A Q03164 2/20 0.52
GAA P10253 1/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
KDM4E B2RXH2 4/20 0.50
THRB P10828 1/20 0.50
RAB9A P51151 1/20 0.50
PTGER4 P35408 10/20 0.49
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
NPY5R Q15761 1/20 0.45

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
SCHEMBL29643225 0.85 RORC (0.56) RORCALDH1A1MEN1MAPTKMT2A
SCHEMBL29643269 0.85 RORC (0.56) RORCALDH1A1MEN1MAPTKMT2A
SCHEMBL29629312 0.81 HPGD (0.65) HPGDALDH1A1MEN1MAPTKMT2A
SCHEMBL29629313 0.81 HPGD (0.65) HPGDALDH1A1MEN1MAPTKMT2A
SCHEMBL8922345 0.81 HPGD (0.65) HPGDALDH1A1MEN1MAPTKMT2A
SCHEMBL2734561 0.80 ALDH1A1 (0.78) HPGDALDH1A1MEN1MAPTKMT2A
Hydrochloric Acid SCHEMBL8920877 0.80 HPGD (0.63) HPGDALDH1A1MEN1MAPTKMT2A
SCHEMBL16119994 0.80 HPGD (0.54) RORCHPGDALDH1A1MAPTHTT
Formaldehyde SCHEMBL27586290 0.78 ALDH1A1 (0.74) HPGDALDH1A1MEN1MAPTKMT2A
SCHEMBL13866623 0.77 PTGER4 (0.59) RORCHPGDALDH1A1MEN1MAPT

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-109206360-B Carbazole amide derivative or salt thereof, and preparation method and application thereof 复旦大学 2022-05-17 CN disclosed