SCHEMBL30990562

SCHEMBL30990562

O=C1NC(=O)C(=Cc2ccc(Cl)cc2Cl)S1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IGF1R P08069 3/20 1.00
▸ PIM1 P11309 3/20 0.66
▸ PIM2 Q9P1W9 3/20 0.66
▸ HPGD P15428 9/20 0.60
▸ INSR P06213 1/20 0.59
▸ PTP4A3 O75365 1/20 0.57
▸ CRHBP P24387 1/20 0.57
▸ CRHR2 Q13324 1/20 0.57
▸ KDM4E B2RXH2 1/20 0.56
▸ NSD2 O96028 1/20 0.56
▸ POLB P06746 1/20 0.56
▸ GAA P10253 1/20 0.56
▸ MAPT P10636 1/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ RECQL P46063 1/20 0.56
▸ GFER P55789 1/20 0.56
▸ MCL1 Q07820 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ PIM3 Q86V86 1/20 0.56

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
SCHEMBL1249000 1.00 IGF1R (1.00) IGF1RPIM1PIM2HPGDINSR
SCHEMBL1249001 1.00 IGF1R (1.00) IGF1RPIM1PIM2HPGDINSR
SCHEMBL20637585 0.85 TDP1 (0.74) IGF1RHPGDKDM4ENSD2POLB
SCHEMBL20535128 0.85 PTP4A3 (0.79) IGF1RPIM1PTP4A3CRHBPCRHR2
SCHEMBL20535130 0.85 PTP4A3 (0.79) IGF1RPIM1PTP4A3CRHBPCRHR2
SCHEMBL12204299 0.85 PTP4A3 (0.79) IGF1RPIM1PTP4A3CRHBPCRHR2
SCHEMBL19119969 0.85 TDP1 (0.74) IGF1RHPGDKDM4ENSD2POLB
SCHEMBL1247522 0.81 PIM1 (0.72) IGF1RPIM1PIM2HPGDPOLB
SCHEMBL1247523 0.81 PIM1 (0.72) IGF1RPIM1PIM2HPGDPOLB
SCHEMBL30520063 0.80 IGF1R (0.67) IGF1RPIM1HPGDPTP4A3CRHBP

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-118108785-A 5 Alpha, 8 alpha-peroxy ergosterol-3-thiazolidinedione derivative, and preparation method and application thereof 齐齐哈尔医学院 2024-05-31 — — CN disclosed
Send feedback