SCHEMBL21062361

SCHEMBL21062361

O=C(NC1CCNCC1)c1cc2cc(Cl)ccc2o1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.57
▸ NPC1 O15118 4/20 0.57
▸ ATF4 P18848 2/20 0.51
▸ PIM1 P11309 2/20 0.48
▸ PIM2 Q9P1W9 2/20 0.48
▸ HDAC3 O15379 1/20 0.48
▸ HDAC4 P56524 1/20 0.48
▸ HDAC1 Q13547 1/20 0.48
▸ HDAC7 Q8WUI4 1/20 0.48
▸ HDAC2 Q92769 1/20 0.48
▸ HDAC10 Q969S8 1/20 0.48
▸ HDAC11 Q96DB2 1/20 0.48
▸ HDAC8 Q9BY41 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48
▸ HDAC9 Q9UKV0 1/20 0.48
▸ HDAC5 Q9UQL6 1/20 0.48
▸ CHRNA7 P36544 2/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ HTR3A P46098 1/20 0.47
▸ BCAT1 P54687 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
SCHEMBL30578688 1.00 RAB9A (0.57) RAB9ANPC1ATF4PIM1PIM2
Hydrochloric Acid SCHEMBL21050122 0.99 RAB9A (0.56) RAB9ANPC1ATF4PIM1PIM2
Trifluoroacetic Acid SCHEMBL21819415 0.92 RAB9A (0.50) RAB9ANPC1ATF4PIM1PIM2
SCHEMBL24225638 0.87 RAB9A (0.73) RAB9ANPC1ATF4HDAC3HDAC4
SCHEMBL17209555 0.87 RAB9A (0.73) RAB9ANPC1ATF4HDAC3HDAC4
SCHEMBL30578714 0.86 RAB9A (0.58) RAB9ANPC1ATF4HDAC3HDAC4
SCHEMBL21050136 0.86 RAB9A (0.58) RAB9ANPC1ATF4HDAC3HDAC4
SCHEMBL30578689 0.86 RAB9A (0.58) RAB9ANPC1ATF4HDAC3HDAC4
SCHEMBL24225649 0.86 RAB9A (0.58) RAB9ANPC1ATF4HDAC3HDAC4
SCHEMBL6337803 0.84 MCHR1 (0.59) RAB9ANPC1MAPTKDM4ENR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023231948-A1 ISR INHIBITORS, METHOD FOR PREPARING SAME, AND USE THEREOF 中国药科大学 2023-12-07 — — WO disclosed
CN-116768877-A ISR inhibitor and preparation method and application thereof 中国药科大学 2023-09-19 — — CN disclosed
EP-3723762-A2 INHIBITORS OF INTEGRATED STRESS RESPONSE PATHWAY Praxis Biotech LLC (US) 2020-10-21 — — EP disclosed
WO-2019118785-A2 INHIBITORS OF INTEGRATED STRESS RESPONSE PATHWAY Praxis Biotech LLC (US) 2019-06-20 — — WO disclosed
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