SCHEMBL7440808

SCHEMBL7440808

O=C(c1ccc(Cl)nc1)c1ccc(Cl)nc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.72
DGAT1 O75907 2/20 0.53
RAB9A P51151 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
KCNQ3 O43525 2/20 0.50
KCNQ2 O43526 2/20 0.50
KCNE1 P15382 2/20 0.50
KCNQ1 P51787 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
TDP1 Q9NUW8 1/20 0.49
MDM4 O15151 1/20 0.49
TP53 P04637 1/20 0.49
MDM2 Q00987 1/20 0.49
EGFR P00533 1/20 0.49
BACE1 P56817 1/20 0.49
NPC1 O15118 2/20 0.47
GAA P10253 2/20 0.47
POLB P06746 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL2475597 0.92 NAPRT (0.62) NAPRTDGAT1RAB9ASMN1; SMN2KCNQ3
SCHEMBL3383611 0.90 NAPRT (0.66) NAPRTDGAT1RAB9ASMN1; SMN2KCNQ3
SCHEMBL31473447 0.90 NAPRT (0.66) NAPRTDGAT1RAB9ASMN1; SMN2KCNQ3
SCHEMBL29457431 0.88 NPC1 (0.62) NAPRTDGAT1SMN1; SMN2KCNQ3KCNQ2
SCHEMBL4467915 0.88 NPC1 (0.62) NAPRTDGAT1SMN1; SMN2KCNQ3KCNQ2
SCHEMBL5305773 0.88 NAPRT (0.58) NAPRTDGAT1RAB9ASMN1; SMN2KCNQ3
SCHEMBL17676098 0.88 RAB9A (0.64) NAPRTDGAT1RAB9ASMN1; SMN2KCNQ3
Hydrochloric Acid SCHEMBL7478607 0.87 NAPRT (0.61) NAPRTRAB9ASMN1; SMN2KCNQ3KCNQ2
Hydrochloric Acid SCHEMBL7478603 0.87 NAPRT (0.61) NAPRTDGAT1RAB9ASMN1; SMN2KCNQ3
SCHEMBL17801 0.86 NAPRT (0.72) NAPRTDGAT1RAB9ASMN1; SMN2KCNQ3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0863755-A4 ANTITHROMBOTIC DIAMINES LILLY CO ELI (US) 1999-01-20 EP disclosed
EP-0863755-A1 ANTITHROMBOTIC DIAMINES ELI LILLY AND COMPANY (US) 1998-09-16 EP disclosed
WO-1997025033-A1 ANTITHROMBOTIC DIAMINES ELI LILLY AND COMPANY (US) 1997-07-17 WO disclosed