SCHEMBL24565768

SCHEMBL24565768

Cc1cc(C(F)(F)F)cn(CCO)c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.45
RXFP1 Q9HBX9 3/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 3/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
RAF1 P04049 1/20 0.37
BRAF P15056 1/20 0.37
HPGD P15428 1/20 0.37
RORC P51449 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
XPO1 O14980 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL25745842 0.85 TYR (0.40) BRD4RXFP1MEN1KMT2AALDH1A1
SCHEMBL25596467 0.83 MEN1 (0.35) BRD4RXFP1MEN1KMT2AALDH1A1
SCHEMBL15616944 0.82 RXFP1 (0.42) RXFP1MEN1KMT2AALDH1A1MAPK1
SCHEMBL24818900 0.82 MEN1 (0.36) BRD4RXFP1MEN1KMT2AALDH1A1
SCHEMBL24007756 0.81 ALDH1A1 (0.41) BRD4RXFP1MEN1KMT2AALDH1A1
SCHEMBL24821783 0.78 BRD4 (0.43) BRD4RXFP1MEN1KMT2AALDH1A1
SCHEMBL25747184 0.76 RXFP1 (0.37) RXFP1MEN1KMT2AALDH1A1MAPK1
SCHEMBL20709922 0.76 BRD4 (0.37) BRD4RXFP1MEN1KMT2AALDH1A1
SCHEMBL10460879 0.75 L3MBTL1 (0.40) RXFP1MEN1KMT2AALDH1A1MAPK1
SCHEMBL25745831 0.75 CTSK (0.41) ALDH1A1SMN1; SMN2KDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023086319-A1 6-HE TERO ARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS AJAX THERAPEUTICS, INC. (US) 2023-05-19 WO disclosed
WO-2022272248-A1 CBL-B MODULATORS AND USES THEREOF NIMBUS CLIO, INC. (US) 2022-12-29 WO disclosed
WO-2022140527-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS AJAX THERAPEUTICS, INC. (US) 2022-06-30 WO disclosed