SCHEMBL7320722

SCHEMBL7320722

CCCCCOc1cccc(-c2nn3cc(-c4ccc(C(=O)O)cc4)nc3s2)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 3/20 0.51
TP53 P04637 3/20 0.49
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
RARB P10826 3/20 0.47
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
CA12 O43570 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
NR1H4 Q96RI1 1/20 0.45
DHODH Q02127 1/20 0.45
TSHR P16473 1/20 0.45
PLA2G4B P0C869 1/20 0.44

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
SCHEMBL6132717 0.89 RARB (0.58) PTPN11TP53MAPTRARBCA12
SCHEMBL7326102 0.88 RARB (0.56) PTPN11TP53MAPTRARBCA12
Trifluoroacetic Acid SCHEMBL7319226 0.86 MAPT (0.42) PTPN11TP53MAPTSMN1; SMN2RARB
SCHEMBL6132844 0.82 CA12 (0.53) PTPN11TP53MAPTSMN1; SMN2RARB
SCHEMBL6539767 0.79 MAPT (0.57) TP53MAPTRARBCA12CA1
SCHEMBL6539568 0.78 TP53 (0.76) TP53MAPTSMN1; SMN2RARBCA12
SCHEMBL10611011 0.77 RARB (0.74) PTPN11TP53RARBRXRARXRB
SCHEMBL6135027 0.77 TP53 (0.41) TP53MAPTSMN1; SMN2RARBCA12
Trifluoroacetic Acid SCHEMBL7323575 0.76 CA12 (0.46) TP53MAPTSMN1; SMN2RARBCA12
Trifluoroacetic Acid SCHEMBL6538606 0.76 TP53 (0.47) TP53MAPTSMN1; SMN2RARBCA12

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-6232290-B1 FUNGICIDES AGAINST PNEUMOCYSTIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-05-15 US disclosed