SCHEMBL29955083

SCHEMBL29955083

Cc1ccnc(SCc2ccc(F)cc2B(O)O)n1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.45
KMT2A Q03164 4/20 0.44
HTT P42858 1/20 0.43
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 2/20 0.39
PKM P14618 1/20 0.39
CXCR2 P25025 1/20 0.38
POLB P06746 2/20 0.38
MEN1 O00255 1/20 0.36
RECQL P46063 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL29955309 0.82 ALOX15 (0.45) ALOX15KMT2AHTTALDH1A1KDM4E
SCHEMBL29955788 0.81 NPC1 (0.50) ALOX15KMT2AALDH1A1KDM4ENPC1
SCHEMBL29951232 0.80 CXCR2 (0.47) HTTNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL29951020 0.77 LMNA (0.49) ALOX15KMT2AHTTALDH1A1KDM4E
SCHEMBL29955289 0.73 CXCR2 (0.39) HTTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL29950832 0.72 ALDH1A1 (0.39) KMT2AHTTALDH1A1KDM4ENPC1
SCHEMBL29953114 0.72 LMNA (0.55) ALOX15KMT2AHTTALDH1A1KDM4E
SCHEMBL29955260 0.71 SMN1; SMN2 (0.47) ALOX15KMT2AHTTALDH1A1KDM4E
SCHEMBL29956655 0.70 CXCR2 (0.40) KMT2AALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL15330335 0.70 HSD17B10 (0.44) KMT2AHTTALDH1A1NPC1RAB9A

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed