SCHEMBL24372818

SCHEMBL24372818

Cc1cn(-c2ccc(C(=O)N3CCOCC3)cc2)nn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.59
ALDH1A1 P00352 4/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
KDM4E B2RXH2 1/20 0.59
MAPT P10636 1/20 0.59
HTT P42858 1/20 0.59
PHGDH O43175 1/20 0.51
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
AKR1C3 P42330 1/20 0.47
RXFP1 Q9HBX9 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MAPK1 P28482 1/20 0.46
TSHR P16473 1/20 0.46
MLYCD O95822 1/20 0.45
POLB P06746 1/20 0.45
DNMT1 P26358 1/20 0.45
PTPN7 P35236 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
PKM P14618 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
SCHEMBL19126566 0.81 HPGD (0.50) HPGDALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL10720943 0.76 PHGDH (0.81) HPGDALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL28935748 0.75 MAOA (0.60) HPGDALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL28238833 0.75 HPGD (0.41) HPGDALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL10195037 0.75 MAPK10 (0.45) HPGDALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL12871 0.75 PHGDH (0.69) HPGDALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL20657772 0.74 PIK3CA (0.46) HPGDALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL30810556 0.74 PIK3CA (0.46) HPGDALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL31227412 0.74 MAOA (0.44) ALDH1A1SMN1; SMN2KDM4EMAPTHTT
SCHEMBL30402459 0.74 RAB9A (0.53) HPGDALDH1A1SMN1; SMN2MAPTPHGDH

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
WO-2022087216-A1 DOUBLE DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2022-04-28 WO disclosed