SCHEMBL9814281

SCHEMBL9814281

Nc1ccc(Sc2ccccc2Sc2ccc(N)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.65
TSHR P16473 2/20 0.65
MAPK1 P28482 1/20 0.65
HPGD P15428 2/20 0.56
CYP2C9 P11712 2/20 0.56
CYP2C19 P33261 2/20 0.56
PDE7A Q13946 5/20 0.54
DHFR P00374 1/20 0.50
KDM1A O60341 1/20 0.48
MAPT P10636 5/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
RECQL P46063 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ANXA2 P07355 1/20 0.42
S100A10 P60903 1/20 0.42

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
SCHEMBL9814267 0.97 CYP3A4 (0.70) CYP3A4TSHRMAPK1HPGDCYP2C9
SCHEMBL3095695 0.88 CYP3A4 (0.56) CYP3A4TSHRMAPK1HPGDCYP2C9
SCHEMBL18620896 0.84 CYP3A4 (0.52) CYP3A4TSHRMAPK1HPGDCYP2C9
SCHEMBL10616298 0.84 HPGD (0.53) CYP3A4TSHRMAPK1HPGDCYP2C9
SCHEMBL10700854 0.83 HPGD (0.56) CYP3A4TSHRMAPK1HPGDCYP2C9
SCHEMBL202221 0.81 CYP3A4 (0.78) CYP3A4TSHRMAPK1HPGDCYP2C9
SCHEMBL10697015 0.81 HPGD (0.54) CYP3A4TSHRMAPK1HPGDCYP2C9
SCHEMBL8558465 0.81 KDM1A (0.51) CYP3A4TSHRMAPK1HPGDCYP2C9
SCHEMBL3897205 0.80 SIRT1 (0.52) MAPK1HPGDCYP2C9CYP2C19DHFR
4,4'-Thiodianiline SCHEMBL28778309 0.80 CYP3A4 (0.88) CYP3A4TSHRMAPK1HPGDCYP2C9

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
EP-0260709-B1 FUSIBLE AND SOLUBLE POLYAMIDEIMIDE-POLYIMIDE BLOCK POLYMERS Chemie Linz Gesellschaft m.b.H. (AT) 1991-07-24 EP disclosed
EP-0294848-A1 Aromatic polythioetherimide MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1988-12-14 EP disclosed
EP-0260709-A1 Fusible and soluble polyamideimide-polyimide block polymers Chemie Linz Gesellschaft m.b.H. (AT) 1988-03-23 EP disclosed