SCHEMBL24016871

SCHEMBL24016871

CCc1ccc(NC=O)cc1N1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
RECQL P46063 1/20 0.40
ALDH1A3 P47895 5/20 0.40
ALDH1A1 P00352 5/20 0.40
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
HTT P42858 1/20 0.37
OPRD1 P41143 3/20 0.37
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL19151711 0.83 ALDH1A1 (0.49) KDM4ERECQLALDH1A3ALDH1A1GAA
SCHEMBL24522285 0.82 KDM4E (0.42) KDM4ERECQLALDH1A3ALDH1A1GAA
SCHEMBL19152187 0.81 ALDH1A3 (0.49) ALDH1A3ALDH1A1GAAHPGDMAPK1
SCHEMBL22523017 0.78 ALDH1A1 (0.46) KDM4EALDH1A3ALDH1A1GAAHPGD
SCHEMBL7344800 0.76 ALDH1A1 (0.41) ALDH1A1OPRD1
SCHEMBL18789903 0.73 KMT2A (0.44) ALDH1A3ALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL13326993 0.73 MEN1 (0.47) ALDH1A3ALDH1A1GAAHPGDHTT
SCHEMBL21725472 0.71 ALDH1A1 (0.50) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL10133331 0.71 TRIM24 (0.57) KDM4EALDH1A1GAASMN1; SMN2HTT
SCHEMBL23375915 0.70 ALDH1A1 (0.41) RECQLALDH1A1GAAHPGDSMN1; SMN2

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
EP-3508477-B1 C5AR ANTAGONISTS CHEMOCENTRYX INC (US) 2021-11-10 EP disclosed