SCHEMBL28379784

SCHEMBL28379784

O=C(Nc1cccc(N2CCOCC2)c1N1CCCCC1)c1ccc(Br)o1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK10 P53779 7/20 0.74
▸ ALDH1A1 P00352 5/20 0.74
▸ TSHR P16473 3/20 0.74
▸ HPGD P15428 2/20 0.74
▸ CSF1R P07333 2/20 0.72
▸ HTT P42858 4/20 0.70
▸ GAA P10253 2/20 0.70
▸ L3MBTL1 Q9Y468 1/20 0.70
▸ POLB P06746 2/20 0.68
▸ ATM Q13315 2/20 0.68
▸ NPC1 O15118 5/20 0.60
▸ RAB9A P51151 5/20 0.60
▸ MAPT P10636 3/20 0.58
▸ SMN1; SMN2 Q16637 3/20 0.58
▸ TP53 P04637 2/20 0.58
▸ KMT2A Q03164 2/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ LMNA P02545 1/20 0.58
▸ MAPK1 P28482 2/20 0.57
▸ HSD17B10 Q99714 2/20 0.57

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
SCHEMBL13147762 0.84 CSF1R (1.00) MAPK10ALDH1A1TSHRHPGDCSF1R
SCHEMBL13167004 0.83 ALDH1A1 (1.00) MAPK10ALDH1A1TSHRHPGDCSF1R
SCHEMBL20598829 0.81 NPC1 (0.72) MAPK10ALDH1A1TSHRHPGDCSF1R
SCHEMBL20598140 0.81 ALDH1A1 (0.67) MAPK10ALDH1A1TSHRHPGDCSF1R
SCHEMBL28383371 0.80 PIM1 (0.55) MAPK10ALDH1A1TSHRHPGDCSF1R
SCHEMBL29033220 0.79 HPGD (0.52) MAPK10ALDH1A1TSHRHPGDCSF1R
SCHEMBL20598769 0.78 ALDH1A1 (0.61) MAPK10ALDH1A1TSHRHPGDCSF1R
SCHEMBL28383374 0.78 PIM1 (0.53) MAPK10ALDH1A1TSHRHPGDCSF1R
SCHEMBL28384221 0.78 HPGD (0.51) MAPK10ALDH1A1TSHRHPGDCSF1R
SCHEMBL20598518 0.77 NPC1 (0.66) MAPK10ALDH1A1TSHRHPGDCSF1R

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-111032642-B Kinase inhibitors and methods of making and using the same 里格尔药品股份有限公司 2023-07-18 — — CN disclosed
CN-111032642-A Kinase inhibitors and methods of making and using 里格尔药品股份有限公司 2020-04-17 — — CN disclosed
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