SCHEMBL29954956

SCHEMBL29954956

Cc1ccc2[nH]c(C)c(C=O)c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
NPC1 O15118 4/20 0.55
RAB9A P51151 3/20 0.55
USP2 O75604 1/20 0.55
GPR35 Q9HC97 1/20 0.55
GPR55 Q9Y2T6 1/20 0.55
HSD17B10 Q99714 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
ALDH1A1 P00352 7/20 0.49
KDM4E B2RXH2 7/20 0.49
MAPT P10636 5/20 0.49
GAA P10253 3/20 0.49
HPGD P15428 4/20 0.49
ALOX15 P16050 1/20 0.49
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
LMNA P02545 3/20 0.44
ACHE P22303 2/20 0.44

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
SCHEMBL10941882 1.00 MEN1 (0.55) MEN1KMT2ANPC1RAB9AUSP2
SCHEMBL29955688 0.85 MITF (0.51) MEN1KMT2ANPC1RAB9AUSP2
SCHEMBL29363427 0.82 KDM4E (0.46) MEN1KMT2ANPC1RAB9AUSP2
SCHEMBL3198006 0.82 LMNA (0.51) MEN1KMT2ANPC1RAB9AUSP2
SCHEMBL29951087 0.82 GAA (0.54) MEN1KMT2ANPC1RAB9AUSP2
SCHEMBL24522294 0.82 KDM4E (0.46) MEN1KMT2ANPC1RAB9AUSP2
SCHEMBL2062055 0.82 LMNA (0.57) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL4515445 0.82 PARP1 (0.44) MEN1KMT2ANPC1RAB9AUSP2
SCHEMBL2062443 0.82 KEAP1 (0.51) MEN1KMT2ARAB9ASMN1; SMN2ALDH1A1
SCHEMBL15331998 0.80 ALDH1A1 (0.50) MEN1KMT2ANPC1RAB9AHSD17B10

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