SCHEMBL10465985

SCHEMBL10465985

O=C(O)c1cnc2cccc(C(=O)O)c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.57
PTPN1 P18031 1/20 0.49
NR4A1 P22736 1/20 0.43
NR4A2 P43354 1/20 0.43
NR4A3 Q92570 1/20 0.43
PSMD14 O00487 1/20 0.43
ALDH1A1 P00352 5/20 0.42
LMNA P02545 2/20 0.42
NAPRT Q6XQN6 1/20 0.42
DDT P30046 1/20 0.41
HPGD P15428 2/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
P4HA1 P13674 2/20 0.40
P4HTM Q9NXG6 2/20 0.40
ALOX15 P16050 2/20 0.40
HSD17B10 Q99714 1/20 0.40
KDM4E B2RXH2 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL11152987 0.89 MGAM (0.45) MGAMPTPN1NR4A1NR4A2NR4A3
SCHEMBL28045748 0.89 MGAM (0.53) MGAMPTPN1PSMD14ALDH1A1NAPRT
SCHEMBL2200090 0.83 MGAM (0.57) MGAMPSMD14ALDH1A1NAPRTHPGD
SCHEMBL4221331 0.81 MGAM (0.56) MGAMPSMD14ALDH1A1NAPRTHPGD
SCHEMBL21241470 0.81 MGAM (0.56) MGAMPSMD14ALDH1A1NAPRTDDT
SCHEMBL23359976 0.81 MGAM (0.56) MGAMPSMD14ALDH1A1NAPRTHPGD
SCHEMBL29933753 0.81 MGAM (0.56) MGAMPSMD14ALDH1A1NAPRTHPGD
SCHEMBL9353615 0.81 MGAM (0.56) MGAMPSMD14ALDH1A1NAPRTHPGD
SCHEMBL30251757 0.81 MGAM (0.56) MGAMPSMD14ALDH1A1NAPRTHPGD
SCHEMBL24840523 0.81 DHODH (0.44) MGAMPTPN1NR4A1NR4A2NR4A3

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-4968803-A FLUORINE AS OXIDANT ALLIED-SIGNAL INC. (US) 1990-11-06 US disclosed