SCHEMBL9775656

SCHEMBL9775656

O=C(NC1=NCCS1)c1c(C(F)(F)F)nc(-c2ccccc2)c(-c2ccccc2)c1O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.51
RAB9A P51151 7/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
TP53 P04637 3/20 0.46
MAPT P10636 5/20 0.45
ALDH1A1 P00352 4/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
LMNA P02545 3/20 0.45
HPGD P15428 3/20 0.45
KDM4E B2RXH2 2/20 0.45
TOP1 P11387 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.40
HTT P42858 1/20 0.40
GFER P55789 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL9775627 0.81 XPO1 (0.48) ALDH1A1MEN1KMT2ALMNANFKB1
SCHEMBL9775626 0.77 RAB9A (0.49) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL9775573 0.77 RAB9A (0.50) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL9775653 0.70 MEN1 (0.46) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL6232715 0.69 NPC1 (1.00) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL9775636 0.68 SMN1; SMN2 (0.55) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL30405967 0.68 NPC1 (0.72) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL9775604 0.67 RAB9A (0.49) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL9775581 0.67 NPC1 (0.48) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL9775616 0.66 RAB9A (0.50) NPC1RAB9ASMN1; SMN2MAPTMEN1

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-4987140-A ANTIINFLAMMATORY, ANTIRHEUMATIC ROUSSEL UCLAF (FR) 1991-01-22 US disclosed
US-4925859-A Novel 4-hydroxy-3-pyridine-carboxamides useful for treating inflammation and rheumatism ROUSSEL UCLAF (FR) 1990-05-15 US disclosed