SCHEMBL29518232

SCHEMBL29518232

COc1cccc(C2=NC(=Cc3cccs3)C(=O)O2)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.73
MAPT P10636 6/20 0.73
NOTUM Q6P988 2/20 0.66
NPC1 O15118 2/20 0.62
RAB9A P51151 2/20 0.62
HPGD P15428 1/20 0.62
MASP2 O00187 1/20 0.61
F2 P00734 1/20 0.61
DAPK3 O43293 2/20 0.61
KMT2A Q03164 7/20 0.56
MEN1 O00255 5/20 0.56
MAPK1 P28482 1/20 0.56
PLCG2 P16885 1/20 0.56
TNNI3 P19429 1/20 0.53
CRHBP P24387 1/20 0.53
TNNT2 P45379 1/20 0.53
TNNC1 P63316 1/20 0.53
CRHR2 Q13324 1/20 0.53
KDM4E B2RXH2 5/20 0.51
NPSR1 Q6W5P4 3/20 0.51

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
SCHEMBL22505301 1.00 ALDH1A1 (0.73) ALDH1A1MAPTNOTUMNPC1RAB9A
SCHEMBL22500583 0.87 NOTUM (0.67) ALDH1A1MAPTNOTUMNPC1RAB9A
SCHEMBL22500581 0.87 NOTUM (0.67) ALDH1A1MAPTNOTUMNPC1RAB9A
SCHEMBL22505805 0.81 F2 (0.68) ALDH1A1MAPTNOTUMHPGDMASP2
SCHEMBL22500842 0.81 F2 (0.68) ALDH1A1MAPTNOTUMHPGDMASP2
SCHEMBL22500843 0.81 F2 (0.68) ALDH1A1MAPTNOTUMHPGDMASP2
SCHEMBL13726231 0.81 MAPT (0.72) ALDH1A1MAPTNOTUMNPC1RAB9A
SCHEMBL22500151 0.81 MAPT (0.72) ALDH1A1MAPTNOTUMNPC1RAB9A
SCHEMBL11291984 0.81 MAPT (0.72) ALDH1A1MAPTNOTUMNPC1RAB9A
SCHEMBL24534874 0.80 NPC1 (0.74) ALDH1A1MAPTNOTUMNPC1RAB9A

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-2022071777-A1 COMPOSITION AND METHOD FOR PREVENTION OR TREATMENT OF RESPIRATORY DISEASE 연세대학교 산학협력단 2022-04-07 WO claimed
WO-2022071777-A1 COMPOSITION AND METHOD FOR PREVENTION OR TREATMENT OF RESPIRATORY DISEASE 연세대학교 산학협력단 2022-04-07 WO disclosed