SCHEMBL8886936

SCHEMBL8886936

Cc1cc2c(C(=O)O)cccn2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.42
MYC P01106 5/20 0.41
NR4A1 P22736 1/20 0.41
ENPP3 O14638 1/20 0.40
ALPL P05186 1/20 0.40
XIAP P98170 1/20 0.40
ALDH1A1 P00352 4/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RECQL P46063 1/20 0.39
NOTUM Q6P988 2/20 0.39
KDM4E B2RXH2 2/20 0.39
USP2 O75604 1/20 0.39
TSHR P16473 1/20 0.39
FTO Q9C0B1 1/20 0.39
SPR P35270 1/20 0.39
ALOX15 P16050 1/20 0.38
AKR1C3 P42330 1/20 0.37
AKR1C2 P52895 1/20 0.37
AKR1C1 Q04828 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL3222485 0.80 DHODH (0.40) DHODHMYCNR4A1ALDH1A1RECQL
SCHEMBL3460245 0.79 DHODH (0.41) DHODHMYCNR4A1ALDH1A1L3MBTL1
SCHEMBL3458495 0.78 DHODH (0.40) DHODHMYCNR4A1ALDH1A1L3MBTL1
SCHEMBL3459620 0.77 MAPT (0.47) ALDH1A1L3MBTL1RECQLKDM4ETSHR
SCHEMBL2777482 0.74 NFKB1 (0.41) ALDH1A1L3MBTL1KDM4EMAPT
SCHEMBL3459262 0.73 DHODH (0.37) DHODHALDH1A1L3MBTL1RECQLNOTUM
SCHEMBL1892990 0.72 ALDH1A1 (0.43) DHODHMYCNR4A1ALDH1A1L3MBTL1
SCHEMBL543144 0.71 ALDH1A1 (0.38) ALDH1A1KDM4ETSHR
SCHEMBL544288 0.71 KDM4E (0.41) ALDH1A1KDM4ETSHR
SCHEMBL3459213 0.71 KDM5A (0.38) DHODHALDH1A1RECQLKDM4ESPR

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
US-5691347-A ANGIOTENSIN II INHIBITORS AND VASOCONSTRICTION ROUSSEL UCLAF (FR) 1997-11-25 US disclosed