SCHEMBL31148464

SCHEMBL31148464

CCOc1nc(N2CCNCC2)ncc1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
ALDH1A1 P00352 9/20 0.41
CYP1A2 P05177 8/20 0.41
HPGD P15428 8/20 0.41
HSD17B10 Q99714 8/20 0.41
CASP1 P29466 7/20 0.41
CASP7 P55210 6/20 0.41
LMNA P02545 1/20 0.41
CYP3A4 P08684 5/20 0.41
USP2 O75604 4/20 0.41
CYP2C19 P33261 3/20 0.41
CYP2C9 P11712 3/20 0.41
HIF1A Q16665 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TAAR1 Q96RJ0 1/20 0.40
TSHR P16473 1/20 0.40
PTPN11 Q06124 1/20 0.40
KDM4E B2RXH2 1/20 0.39
POLB P06746 2/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL28081996 0.82 KDM4E (0.43) ALDH1A1CYP1A2HPGDHSD17B10CASP1
SCHEMBL5800464 0.79 LCK (0.45) ALDH1A1CYP1A2HPGDHSD17B10CASP1
SCHEMBL25216474 0.79 PTPN11 (0.56) MAPTALDH1A1HPGDHSD17B10USP2
SCHEMBL30422622 0.79 PTPN11 (0.56) MAPTALDH1A1HPGDHSD17B10USP2
SCHEMBL16671809 0.78 MEN1 (0.52) ALDH1A1CYP1A2HPGDHSD17B10CASP1
SCHEMBL6883115 0.77 SCN9A (0.47) ALDH1A1CYP1A2HPGDHSD17B10CASP1
SCHEMBL9684571 0.77 ADORA3 (0.49) MAPTALDH1A1CYP1A2HPGDHSD17B10
SCHEMBL25212173 0.76 HDAC6 (0.43) MAPTCASP1LMNAPTPN11KMT2A
SCHEMBL31485454 0.76 HDAC6 (0.43) MAPTCASP1LMNAPTPN11KMT2A
SCHEMBL30422885 0.76 HDAC6 (0.43) MAPTCASP1LMNAPTPN11KMT2A

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-118748995-A 5-Pyrimidine carboxamide derivatives and methods of use thereof 亚根达医疗公司 2024-10-08 CN disclosed