SCHEMBL7735938

SCHEMBL7735938

CSc1sc(C(=N)N)cc1C(=O)NCCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
C1S P09871 3/20 0.53
PLAU P00749 3/20 0.49
NPC1 O15118 6/20 0.49
RAB9A P51151 6/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
MAPT P10636 1/20 0.49
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
USP2 O75604 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
KMT2A Q03164 1/20 0.43
CLK1 P49759 1/20 0.43

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
Hydrochloric Acid SCHEMBL6924633 0.99 C1S (0.52) C1SPLAUNPC1RAB9ASMN1; SMN2
SCHEMBL7359059 0.90 C1S (0.53) C1SPLAU
SCHEMBL7736159 0.88 C1S (0.55) C1SPLAUHDAC3HDAC4HDAC1
Hydrochloric Acid SCHEMBL6924675 0.88 C1S (0.52) C1SPLAU
Hydrochloric Acid SCHEMBL6922137 0.87 C1S (0.54) C1SPLAUHDAC3HDAC4HDAC1
SCHEMBL6926778 0.85 NPC1 (0.56) NPC1RAB9ASMN1; SMN2MAPTHDAC3
SCHEMBL7736168 0.82 PLAU (0.49) C1SPLAU
SCHEMBL7736645 0.80 C1S (0.55) C1SPLAU
SCHEMBL7735235 0.80 PLAU (0.54) C1SPLAUSMN1; SMN2
Hydrochloric Acid SCHEMBL6925651 0.79 C1S (0.54) C1SPLAU

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-6403633-B2 USEFUL ANTIANGIOGENIC, ANTIARTHRITIC, ANTIINFLAMMATORY, ANTIRESTENOTIC, ANTIINVASIVE, ANTIMETASTIC, ANTIOSTEOPOROTIC, ANTIRETINOPATHIC, CONTRACEPTIVE AND TUMORISTATIC TREATMENT AGENTS 3-DIMENSIONAL PHARMACEUTICALS, INC. 2002-06-11 US claimed