SCHEMBL29580955

SCHEMBL29580955

Cc1cc(Br)ccc1N1CCOCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
ALDH1A1 P00352 3/20 0.50
CCR5 P51681 1/20 0.49
POLB P06746 1/20 0.49
AKR1C3 P42330 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
GAA P10253 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
NSD2 O96028 1/20 0.44
LMNA P02545 1/20 0.44
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
SLC6A5 Q9Y345 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL790418 1.00 MAPT (0.53) MAPTALDH1A1CCR5POLBAKR1C3
SCHEMBL3658442 0.83 ALDH1A1 (0.59) MAPTALDH1A1POLBSMN1; SMN2GAA
SCHEMBL790291 0.81 ALDH1A1 (0.58) MAPTALDH1A1POLBSMN1; SMN2GAA
SCHEMBL12385911 0.81 ALDH1A1 (0.69) MAPTALDH1A1POLBAKR1C3SMN1; SMN2
SCHEMBL12499570 0.80 IGF1R (0.46) MAPTALDH1A1POLBSMN1; SMN2GAA
SCHEMBL30641872 0.80 IGF1R (0.46) MAPTALDH1A1POLBSMN1; SMN2GAA
SCHEMBL19496762 0.80 ALDH1A1 (0.51) MAPTALDH1A1AKR1C3SMN1; SMN2GAA
SCHEMBL13718469 0.80 MAPT (0.64) MAPTALDH1A1CCR5AKR1C3SMN1; SMN2
SCHEMBL25464794 0.79 ALDH1A1 (0.54) MAPTALDH1A1AKR1C3SMN1; SMN2GAA
SCHEMBL7057761 0.79 HTR3A (0.61) MAPTALOX15HSD17B10MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117693503-A Substituted pyrazine-2-carboxamides as HPK1 inhibitors for the treatment of cancer 阿斯利康(瑞典)有限公司 2024-03-12 CN disclosed
CN-106928162-B Synthesis method of substituted N-phenyl morpholine compound 韶远科技(上海)有限公司 2022-04-08 CN disclosed