SCHEMBL31493136

SCHEMBL31493136

Cc1cc(N)cc(C(C)(F)F)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.47
HSP90AB1 P08238 1/20 0.47
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ADORA2A P29274 3/20 0.35
ADORA1 P30542 3/20 0.35
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
NUDT1 P36639 1/20 0.33
NR2E1 Q9Y466 1/20 0.33
KDM4E B2RXH2 2/20 0.33
CYP3A4 P08684 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
CHRM1 P11229 1/20 0.31

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
SCHEMBL18299043 0.85 HSP90AA1 (0.64) HSP90AA1HSP90AB1NOS3NOS1NOS2
SCHEMBL29739588 0.83 KDM4E (0.46) HSP90AA1HSP90AB1NOS3NOS1NOS2
SCHEMBL31492986 0.75 HSP90AA1 (0.38) HSP90AA1HSP90AB1ALDH1A1LMNA
SCHEMBL589612 0.74
SCHEMBL27269634 0.71 HSP90AA1 (0.42) HSP90AA1HSP90AB1HSD17B10KDM4EATM
SCHEMBL27029966 0.71 KMT2A (0.44) HSP90AA1HSP90AB1HSD17B10ALDH1A1KDM4E
SCHEMBL15213218 0.69
SCHEMBL23344929 0.68 HSP90AA1 (0.48) HSP90AA1HSP90AB1HSD17B10ALDH1A1TSHR
SCHEMBL10399561 0.67
SCHEMBL5513652 0.67 HSD17B10 (0.48) HSD17B10ALDH1A1TSHRKDM4EPOLB

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
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