SCHEMBL7295495

SCHEMBL7295495

Cc1ccccc1NC(=O)c1ccc(C(C)(C)C)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.72
HPGD P15428 2/20 0.72
RAB9A P51151 4/20 0.69
NPC1 O15118 3/20 0.69
ALDH1A1 P00352 2/20 0.69
L3MBTL1 Q9Y468 2/20 0.69
GLA P06280 1/20 0.69
ATM Q13315 1/20 0.69
PPARG P37231 3/20 0.65
CA1 P00915 1/20 0.64
CA2 P00918 1/20 0.64
NR1H4 Q96RI1 4/20 0.62
MAPT P10636 1/20 0.61
RECQL P46063 1/20 0.61
SMN1; SMN2 Q16637 3/20 0.59
KDM4E B2RXH2 1/20 0.59
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
TP53 P04637 1/20 0.59
THRB P10828 1/20 0.59

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
SCHEMBL9055150 0.89 HPGD (0.89) POLBHPGDRAB9ANPC1ALDH1A1
SCHEMBL7295331 0.87 RAB9A (0.67) POLBHPGDRAB9ANPC1ALDH1A1
SCHEMBL5223315 0.86 RAB9A (0.73) POLBHPGDRAB9ANPC1ALDH1A1
SCHEMBL13885541 0.85 GAA (0.74) POLBHPGDRAB9ANPC1L3MBTL1
SCHEMBL15149757 0.85 RAB9A (0.53) POLBHPGDRAB9ANPC1ALDH1A1
SCHEMBL2347310 0.85 RAB9A (0.77) POLBHPGDRAB9ANPC1ALDH1A1
SCHEMBL3690383 0.84 POLB (0.79) POLBHPGDRAB9ANPC1ALDH1A1
N-O-Tolylbenzamide SCHEMBL3223289 0.84 HPGD (1.00) POLBHPGDRAB9ANPC1ALDH1A1
SCHEMBL7295433 0.83 RAB9A (0.69) POLBRAB9ANPC1ALDH1A1L3MBTL1
SCHEMBL5225162 0.83 NPC1 (0.69) POLBRAB9ANPC1ALDH1A1L3MBTL1

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 4 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-0358118-B1 Phenylamides - process for their preparation as well as a drug containing those compounds BOEHRINGER MANNHEIM GMBH (DE) 1994-03-16 EP disclosed
US-5135949-A Anticoagulants BOEHRINGER MANNHEIM GMBH (DE) 1992-08-04 US disclosed
EP-0358118-A1 Phenylamides - process for their preparation as well as a drug containing those compounds Roche Diagnostics GmbH (DE) 1990-03-14 EP disclosed