SCHEMBL11540436

SCHEMBL11540436

Cc1ccc(O)c(-c2oncc2C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.46
TDP1 Q9NUW8 3/20 0.44
TP53 P04637 2/20 0.44
HPGD P15428 8/20 0.42
MAPT P10636 7/20 0.42
ALOX15 P16050 6/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
USP2 O75604 2/20 0.42
RAB9A P51151 4/20 0.41
NPC1 O15118 2/20 0.41
TRPA1 O75762 1/20 0.41
CASP3 P42574 3/20 0.38
SENP8 Q96LD8 3/20 0.38
SENP7 Q9BQF6 3/20 0.38
SENP6 Q9GZR1 3/20 0.38
NPSR1 Q6W5P4 3/20 0.38
LMNA P02545 3/20 0.38
POLB P06746 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38

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
SCHEMBL11538228 0.83 EPHX2 (0.51) IDO1HPGDMAPTALOX15MEN1
SCHEMBL6764765 0.79 SMN1; SMN2 (0.45) IDO1HPGDMAPTALOX15MEN1
SCHEMBL30046067 0.72 TRPA1 (0.65) IDO1TDP1TP53HPGDMAPT
SCHEMBL278520 0.72 TRPA1 (0.65) IDO1TDP1TP53HPGDMAPT
SCHEMBL29763149 0.72 TRPA1 (0.65) IDO1TDP1TP53HPGDMAPT
SCHEMBL1628070 0.70 EPHX2 (0.65) IDO1TDP1TP53HPGDMAPT
SCHEMBL18171927 0.69 TDP1 (0.58) IDO1TDP1TP53HPGDMAPT
SCHEMBL21097057 0.68 NPC1 (0.45) IDO1TDP1HPGDMAPTMEN1
SCHEMBL12714307 0.67 TRPA1 (0.52) IDO1TDP1TP53HPGDMAPT
SCHEMBL23590408 0.67 CYP19A1 (0.54) TP53MAPTMEN1KMT2AUSP2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4153707-A Fungicidal isoxazolyl phenols and method of use THE UPJOHN COMPANY (US) 1979-05-08 US claimed
US-4153707-A Fungicidal isoxazolyl phenols and method of use THE UPJOHN COMPANY (US) 1979-05-08 US disclosed