SCHEMBL31385446

SCHEMBL31385446

Cc1cc(C(C)(C)C)c(O)c(-n2nc3ccc(Cl)cc3n2)c1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
ATM Q13315 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
CYP2C19 P33261 3/20 0.35
CYP2C9 P11712 2/20 0.35
TP53 P04637 2/20 0.35
HIF1A Q16665 1/20 0.35
RAB9A P51151 3/20 0.35
MAPT P10636 4/20 0.34
KDM4E B2RXH2 2/20 0.34
CYP1A2 P05177 2/20 0.33
ALDH1A1 P00352 2/20 0.33
POLB P06746 2/20 0.33
CA2 P00918 1/20 0.33
TYR P14679 1/20 0.33
THRB P10828 1/20 0.32
PTGS2 P35354 3/20 0.32
PTGS1 P23219 2/20 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
SCHEMBL9261254 0.88 NPC1 (0.38) NPC1MEN1KMT2AATMSMN1; SMN2
SCHEMBL31461587 0.85 CYP2C19 (0.35) NPC1MEN1KMT2AATMSMN1; SMN2
SCHEMBL10925868 0.85 NPC1 (0.39) NPC1MEN1KMT2AATMSMN1; SMN2
SCHEMBL14462719 0.85 NPC1 (0.41) NPC1MEN1KMT2AATMSMN1; SMN2
SCHEMBL29481344 0.81 NPC1 (0.42) NPC1MEN1KMT2AATMSMN1; SMN2
SCHEMBL1276012 0.81 NPC1 (0.42) NPC1MEN1KMT2AATMSMN1; SMN2
SCHEMBL3900613 0.80 NPC1 (0.44) NPC1MEN1KMT2AATMSMN1; SMN2
Bumetrizole SCHEMBL8603228 0.78 NPC1 (0.53) NPC1MEN1KMT2AATMSMN1; SMN2
Bumetrizole SCHEMBL8054070 0.78 NPC1 (0.53) NPC1MEN1KMT2AATMSMN1; SMN2
Bumetrizole SCHEMBL8056551 0.78 NPC1 (0.53) NPC1MEN1KMT2AATMSMN1; 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-119119903-A Method for producing adhesive sheet, and adhesive sheet 日东电工株式会社 2024-12-13 CN disclosed