SCHEMBL28548121

SCHEMBL28548121

CCC(CC)C(=O)O.Cn1cnc2cc(N)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
HSD17B10 Q99714 2/20 0.47
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 2/20 0.44
FGFR1 P11362 1/20 0.43
HDAC1 Q13547 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
GRM5 P41594 1/20 0.41
NPC1 O15118 8/20 0.41
RAB9A P51151 8/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
TP53 P04637 3/20 0.41
GAA P10253 2/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
ALOX15 P16050 1/20 0.40
HTT P42858 1/20 0.40
TNF P01375 1/20 0.38
NOTUM Q6P988 1/20 0.38

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
SCHEMBL212673 0.81 MAPT (0.61) MAPTHSD17B10ALDH1A1KMT2AFGFR1
SCHEMBL5280344 0.78 HCAR3 (0.48) MAPTHSD17B10ALDH1A1KMT2AFGFR1
SCHEMBL2019815 0.73 ALDH1A1 (0.43) MAPTHSD17B10ALDH1A1KMT2AHDAC1
SCHEMBL2296957 0.69 HCAR3 (0.50) MAPTHSD17B10ALDH1A1KMT2AFGFR1
SCHEMBL599310 0.69 HCAR3 (0.65) MAPTHSD17B10ALDH1A1KMT2AFGFR1
SCHEMBL17316372 0.69 ALDH1A1 (0.55) MAPTHSD17B10ALDH1A1KMT2AHDAC1
SCHEMBL13567899 0.69 NPC1 (0.48) MAPTHSD17B10ALDH1A1KMT2AHDAC1
SCHEMBL19911407 0.69 MAPT (0.50) MAPTHSD17B10ALDH1A1KMT2AFGFR1
SCHEMBL15088635 0.69 ALDH1A1 (0.52) MAPTHSD17B10ALDH1A1KMT2AFGFR1
SCHEMBL19553580 0.69 NPC1 (0.54) MAPTHSD17B10ALDH1A1KMT2AHDAC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112624980-B Preparation method of bendamustine hydrochloride suitable for industrial production 深圳万乐药业有限公司 2022-10-04 CN claimed
CN-112624980-A Preparation method of bendamustine hydrochloride suitable for industrial production 深圳万乐药业有限公司 2021-04-09 CN claimed
CN-112624980-B Preparation method of bendamustine hydrochloride suitable for industrial production 深圳万乐药业有限公司 2022-10-04 CN disclosed
CN-112624980-A Preparation method of bendamustine hydrochloride suitable for industrial production 深圳万乐药业有限公司 2021-04-09 CN disclosed