SCHEMBL31493010

SCHEMBL31493010

Cc1cc(OCc2ccccc2)nc(C(C)(F)F)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
TSHR P16473 3/20 0.46
LMNA P02545 3/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
NUDT1 P36639 1/20 0.44
MEN1 O00255 1/20 0.41
GLA P06280 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
GRM5 P41594 3/20 0.41
HTT P42858 2/20 0.40
PKM P14618 1/20 0.40
STAT3 P40763 1/20 0.40

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
SCHEMBL31493105 0.88 ALDH1A1 (0.48) ALDH1A1TSHRLMNAL3MBTL1TDP1
SCHEMBL31492985 0.84 NUDT1 (0.43) ALDH1A1SMN1; SMN2NUDT1MEN1KMT2A
SCHEMBL11256502 0.84 ALDH1A1 (0.52) ALDH1A1TSHRLMNAL3MBTL1TDP1
SCHEMBL31492988 0.82 ALDH1A1 (0.51) ALDH1A1TSHRLMNAL3MBTL1TDP1
SCHEMBL31493099 0.80 NUDT1 (0.40) ALDH1A1TSHRLMNAL3MBTL1TDP1
SCHEMBL30756375 0.79 ALKBH1 (0.41) LMNAL3MBTL1TDP1MAPK1NUDT1
SCHEMBL1564355 0.77 ALDH1A1 (0.64) ALDH1A1TSHRLMNAL3MBTL1TDP1
SCHEMBL31493092 0.76 ALDH1A1 (0.52) ALDH1A1TSHRLMNAL3MBTL1TDP1
SCHEMBL11464975 0.76 NUDT1 (0.67) ALDH1A1TSHRLMNAL3MBTL1TDP1
SCHEMBL12157689 0.75 ALDH1A1 (0.51) ALDH1A1TSHRLMNAL3MBTL1TDP1

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
CN-119894879-A Tyrosine kinase 2 inhibitors and uses thereof 渤健马萨诸塞州股份有限公司 2025-04-25 CN disclosed
CN-119866338-A Tyrosine kinase 2 inhibitors and uses thereof 渤健马萨诸塞州股份有限公司 2025-04-22 CN disclosed
CN-119654322-A TYK2 inhibitors 渤健马萨诸塞州股份有限公司 2025-03-18 CN disclosed