SCHEMBL29858085

SCHEMBL29858085

Nc1ncc(Br)cc1SCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.50
SMN1; SMN2 Q16637 5/20 0.45
RAB9A P51151 4/20 0.45
NPC1 O15118 2/20 0.45
HTT P42858 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 1/20 0.42
BLM P54132 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
LMNA P02545 1/20 0.39
ALOX15 P16050 1/20 0.39
SCN9A Q15858 1/20 0.38
HSP90AA1 P07900 1/20 0.38
ALDH1A1 P00352 2/20 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
SCHEMBL26917296 1.00 POLB (0.50) POLBSMN1; SMN2RAB9ANPC1HTT
SCHEMBL9955393 0.81 GAA (0.43) POLBSMN1; SMN2RAB9ANPC1HTT
SCHEMBL16007066 0.78 POLB (0.39) POLBSMN1; SMN2RAB9ANPC1HTT
SCHEMBL20680345 0.78 ALDH1A1 (0.41) POLBSMN1; SMN2RAB9ANPC1HTT
SCHEMBL21761104 0.78 DAO (0.40) POLBSMN1; SMN2RAB9ANPC1HTT
SCHEMBL31238875 0.78 MAOB (0.43) POLBSMN1; SMN2RAB9ANPC1HTT
SCHEMBL26130944 0.78 MAOB (0.43) POLBSMN1; SMN2RAB9ANPC1HTT
SCHEMBL10636018 0.77 POLB (0.61) POLBSMN1; SMN2RAB9ANPC1HTT
SCHEMBL17927636 0.77 HSD17B10 (0.41) POLBSMN1; SMN2RAB9ANPC1HTT
SCHEMBL29858070 0.76 MEN1 (0.46) POLBSMN1; SMN2KMT2AMEN1MAPT

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
EP-4288437-A1 MAP4K1 INHIBITORS Bayer Aktiengesellschaft (DE) 2023-12-13 EP disclosed
WO-2022167627-A1 MAP4K1 INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 2022-08-11 WO disclosed