SCHEMBL9475280

SCHEMBL9475280

Cc1cccc(C(=O)O)c1NC(=S)Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.54
▸ ALDH1A1 P00352 5/20 0.51
▸ KDM4E B2RXH2 3/20 0.50
▸ ALOX12 P18054 2/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ PKM P14618 1/20 0.47
▸ CRHBP P24387 1/20 0.47
▸ NPBWR1 P48145 1/20 0.47
▸ CRHR2 Q13324 1/20 0.47
▸ MCHR1 Q99705 1/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ GAA P10253 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ LMNA P02545 1/20 0.46
▸ FFAR1 O14842 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.44
▸ MYC P01106 1/20 0.43

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
SCHEMBL8485409 0.77 ALDH1A1 (0.63) POLBALDH1A1KDM4EPKMSMN1; SMN2
SCHEMBL10364156 0.77 CFD (0.62) POLBALDH1A1KDM4EALOX12SMN1; SMN2
SCHEMBL6929631 0.76 NPC1 (0.63) POLBALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL9474583 0.75 POLB (0.58) POLBALDH1A1KDM4EPKMSMN1; SMN2
SCHEMBL10362773 0.75 KMT2A (0.53) POLBALDH1A1KDM4EALOX12CYP1A2
SCHEMBL950942 0.75 POLB (0.62) POLBALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL11665956 0.74 KDM4E (0.78) POLBALDH1A1KDM4EPKMSMN1; SMN2
SCHEMBL9958891 0.74 POLB (0.60) POLBALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL9473974 0.74 ALDH1A1 (0.57) POLBALDH1A1KDM4EPKMSMN1; SMN2
SCHEMBL13541545 0.73 HPGD (0.70) POLBALDH1A1ALOX12CYP1A2CYP3A4

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
US-5217961-A High carcinostatic activity; inhibiting KB-cell growth MECT CORPORATION (JP) 1993-06-08 — — US disclosed
EP-0376166-A1 Condensed quinoline system compound and process of preparation thereof MECT CORPORATION (JP) 1990-07-04 — — EP disclosed
Send feedback