SCHEMBL8306889

SCHEMBL8306889

O=C(O)c1cc(-c2cccnc2)nc2ccc(S(=O)(=O)N3CCCCCC3)cc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.58
LMNA P02545 2/20 0.57
THRB P10828 1/20 0.57
CYP2C9 P11712 1/20 0.56
MAPK1 P28482 1/20 0.53
DHODH Q02127 1/20 0.53
ALDH1A1 P00352 4/20 0.52
USP2 O75604 3/20 0.52
HPGD P15428 3/20 0.52
KMT2A Q03164 3/20 0.52
MAPT P10636 3/20 0.52
MEN1 O00255 2/20 0.52
TSHR P16473 2/20 0.52
NPSR1 Q6W5P4 4/20 0.52
KDM4E B2RXH2 2/20 0.52
GAA P10253 1/20 0.50
GFER P55789 1/20 0.50
HSD17B10 Q99714 1/20 0.50
XBP1 P17861 1/20 0.50
PRNP P04156 1/20 0.50

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
SCHEMBL8304200 0.85 MAPT (0.59) RXFP1LMNATHRBCYP2C9ALDH1A1
SCHEMBL8304700 0.82 MAPK1 (0.49) RXFP1LMNAMAPK1ALDH1A1USP2
SCHEMBL8303960 0.81 RXFP1 (0.65) RXFP1LMNATHRBMAPK1ALDH1A1
SCHEMBL8305679 0.81 RXFP1 (0.71) RXFP1LMNATHRBALDH1A1KMT2A
SCHEMBL8311182 0.78 RXFP1 (0.61) RXFP1LMNATHRBALDH1A1HPGD
SCHEMBL8305681 0.77 RXFP1 (0.66) RXFP1LMNATHRBCYP2C9ALDH1A1
SCHEMBL8305683 0.77 RXFP1 (0.60) RXFP1LMNATHRBALDH1A1HPGD
SCHEMBL7821284 0.74 KMT2A (0.81) RXFP1LMNACYP2C9DHODHALDH1A1
SCHEMBL19475274 0.74 ALDH1A1 (0.71) RXFP1LMNACYP2C9MAPK1DHODH
SCHEMBL18320684 0.74 KDM4E (0.78) RXFP1LMNACYP2C9MAPK1DHODH

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
WO-2004078731-A1 QUINOLINE-CARBOXYLIC ACIDS AND THE DERIVATIVES THEREOF, A FOCUSED LIBRARY 'CHEMICAL DIVERSITY RESEARCH INSTITUTE', LTD. (RU) 2004-09-16 WO disclosed