SCHEMBL31473447

SCHEMBL31473447

O=C(c1ccccc1)c1ccc(Cl)nc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.66
KCNQ3 O43525 3/20 0.56
KCNQ2 O43526 3/20 0.56
L3MBTL1 Q9Y468 2/20 0.55
ALDH1A1 P00352 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
GAA P10253 2/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
SRD5A2 P31213 1/20 0.52
MDM4 O15151 1/20 0.50
TP53 P04637 1/20 0.50
MDM2 Q00987 1/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
GRM4 Q14833 1/20 0.48
VNN1 O95497 1/20 0.47
TDP1 Q9NUW8 2/20 0.47
ATM Q13315 1/20 0.47
LMNA P02545 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
SCHEMBL3383611 1.00 NAPRT (0.66) NAPRTKCNQ3KCNQ2L3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL7478607 0.96 NAPRT (0.61) NAPRTKCNQ3KCNQ2L3MBTL1ALDH1A1
Hydrochloric Acid SCHEMBL7478603 0.96 NAPRT (0.61) NAPRTKCNQ3KCNQ2L3MBTL1ALDH1A1
SCHEMBL7440808 0.90 NAPRT (0.72) NAPRTKCNQ3KCNQ2L3MBTL1SMN1; SMN2
SCHEMBL2475597 0.86 NAPRT (0.62) NAPRTKCNQ3KCNQ2L3MBTL1SMN1; SMN2
SCHEMBL18228607 0.84 NAPRT (0.55) NAPRTKCNQ3KCNQ2L3MBTL1ALDH1A1
SCHEMBL17676098 0.83 RAB9A (0.64) NAPRTKCNQ3KCNQ2ALDH1A1SMN1; SMN2
SCHEMBL4467915 0.83 NPC1 (0.62) NAPRTKCNQ3KCNQ2ALDH1A1SMN1; SMN2
SCHEMBL29457431 0.83 NPC1 (0.62) NAPRTKCNQ3KCNQ2ALDH1A1SMN1; SMN2
SCHEMBL5305773 0.83 NAPRT (0.58) NAPRTKCNQ3KCNQ2L3MBTL1SMN1; SMN2

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
CN-119866333-A KIT inhibitors, compounds, pharmaceutical compositions, and methods of use thereof 亚力维克希斯股份有限公司 2025-04-22 CN disclosed