SCHEMBL9499116

SCHEMBL9499116

CSc1cc(NN2C=CC=C(C(=O)O)C2)cc(SC)c1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
TP53 P04637 1/20 0.32
POLB P06746 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL9494535 0.88 KDM4E (0.31) MEN1KMT2A
SCHEMBL9497253 0.87 MAPT (0.46) MAPTMEN1TP53POLBMAPK1
SCHEMBL9495344 0.77 TP53 (0.33) MAPTMEN1TP53POLBMAPK1
SCHEMBL5253142 0.76 MEN1 (0.43) MAPTMEN1TP53POLBMAPK1
SCHEMBL9498587 0.73 CBS (0.41) MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL9494589 0.72 NPC1 (0.45) MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL9496601 0.70 TSHR (0.49) MAPTMEN1MAPK1KMT2ASMN1; SMN2
SCHEMBL9495470 0.69 RAB9A (0.40) MAPTMEN1TP53POLBMAPK1
SCHEMBL9495354 0.69 HTT (0.44) MAPTMEN1MAPK1KMT2ASMN1; SMN2
SCHEMBL9499119 0.68 MAPT (0.32) MAPTMEN1TP53POLBMAPK1

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-5264437-A Antiinflammatory agents, immunosuppressants or antiallergens SYNTEX (U.S.A.) INC. (US) 1993-11-23 US disclosed