SCHEMBL29709477

SCHEMBL29709477

Cc1c(NC(=O)c2ccc(C(C)(C)C)cc2)cccc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.54
NPC1 O15118 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
GAA P10253 1/20 0.54
MAPK1 P28482 1/20 0.54
NR1H4 Q96RI1 2/20 0.53
PPARG P37231 1/20 0.53
LIPE Q05469 6/20 0.50
ALDH1A1 P00352 1/20 0.49
GLA P06280 1/20 0.49
ATM Q13315 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
BTK Q06187 1/20 0.47
MAPT P10636 2/20 0.47
RECQL P46063 1/20 0.47
DHPS P49366 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL104612 1.00 RAB9A (0.54) RAB9ANPC1SMN1; SMN2GAAMAPK1
SCHEMBL2997564 0.92 LIPE (0.49) RAB9ANPC1SMN1; SMN2GAAMAPK1
SCHEMBL15607795 0.89 LIPE (0.61) RAB9ANPC1SMN1; SMN2GAAMAPK1
SCHEMBL13893964 0.89 MAPT (0.49) RAB9ANPC1SMN1; SMN2LIPEL3MBTL1
SCHEMBL16333710 0.88 LIPE (0.46) RAB9ANPC1SMN1; SMN2GAAMAPK1
SCHEMBL13765533 0.88 LIPE (0.51) RAB9ANPC1SMN1; SMN2GAAMAPK1
SCHEMBL26109550 0.88 POLB (0.50) RAB9ANPC1MAPK1NR1H4PPARG
SCHEMBL30586951 0.87 MEN1 (0.51) SMN1; SMN2LIPEALDH1A1MAPTMEN1
SCHEMBL124355 0.87 MEN1 (0.51) SMN1; SMN2LIPEALDH1A1MAPTMEN1
SCHEMBL2992272 0.87 LIPE (0.51) RAB9ANPC1SMN1; SMN2GAAMAPK1

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
WO-2023183652-A1 DUAL CXCR4-BTK INHIBITORS X4 PHARMACEUTICALS, INC. (US) 2023-09-28 WO disclosed
EP-4008328-A1 PRIMARY CARBOXAMIDES AS BTK INHIBITORS AbbVie Inc. (US) 2022-06-08 EP disclosed