SCHEMBL9865641

SCHEMBL9865641

COc1cc(-c2cc(C(=O)O)c3ccccc3n2)ccc1O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 7/20 0.70
KDM4E B2RXH2 5/20 0.68
ALDH1A1 P00352 3/20 0.68
SMN1; SMN2 Q16637 3/20 0.68
MAPT P10636 3/20 0.68
LMNA P02545 2/20 0.68
NPC1 O15118 1/20 0.68
HPGD P15428 1/20 0.68
NFKB1 P19838 1/20 0.68
RAB9A P51151 1/20 0.68
NFKB2 Q00653 1/20 0.68
RELA Q04206 1/20 0.68
ATM Q13315 1/20 0.68
NPSR1 Q6W5P4 1/20 0.68
GAA P10253 1/20 0.66
ALOX15 P16050 1/20 0.66
HSD17B10 Q99714 1/20 0.66
POLB P06746 2/20 0.64
KMT2A Q03164 3/20 0.63
MEN1 O00255 2/20 0.63

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
SCHEMBL9866298 0.90 DHODH (0.82) DHODHKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL42477 0.90 DHODH (0.81) DHODHKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL29788461 0.90 DHODH (0.81) DHODHKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL8240361 0.88 DHODH (0.70) DHODHKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL14708680 0.85 SMN1; SMN2 (0.70) DHODHKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL13056561 0.85 DHODH (0.71) DHODHKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL20118104 0.85 DHODH (0.67) DHODHKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL29674931 0.85 RAB9A (0.70) DHODHKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL4602056 0.85 RAB9A (0.70) DHODHKDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL3009696 0.84 POLB (0.74) DHODHKDM4EALDH1A1SMN1; SMN2MAPT

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-5071987-A Quinoline dyes; colorfastness BASF AKTIENGESELLSCHAFT (DE) 1991-12-10 US disclosed