SCHEMBL29900577

SCHEMBL29900577

COc1ccc2nc(C)[nH]c(=O)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 1.00
HSD17B10 Q99714 3/20 1.00
LMNA P02545 2/20 1.00
ALDH1A1 P00352 3/20 0.59
USP2 O75604 2/20 0.59
HPGD P15428 2/20 0.59
RAB9A P51151 2/20 0.59
NPC1 O15118 1/20 0.59
GLA P06280 1/20 0.59
GAA P10253 1/20 0.59
MAPT P10636 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
TUBB4A P04350 2/20 0.59
TUBB P07437 2/20 0.59
TUBA3C P0DPH7 2/20 0.59
TUBA1B P68363 2/20 0.59
TUBA4A P68366 2/20 0.59
TUBB4B P68371 2/20 0.59
TUBB3 Q13509 2/20 0.59
TUBB2A Q13885 2/20 0.59

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
SCHEMBL1257374 1.00 KDM4E (1.00) KDM4EHSD17B10LMNAALDH1A1USP2
SCHEMBL18643630 0.87 KDM4E (0.77) KDM4EHSD17B10LMNAALDH1A1USP2
SCHEMBL8710458 0.84 KDM4E (0.72) KDM4EHSD17B10LMNAALDH1A1HPGD
SCHEMBL11248966 0.84 KDM4E (0.72) KDM4EHSD17B10LMNAALDH1A1HPGD
SCHEMBL3423947 0.83 KDM4E (0.70) KDM4EHSD17B10LMNAALDH1A1HPGD
SCHEMBL27682465 0.82 KDM4E (0.69) KDM4EHSD17B10LMNAALDH1A1USP2
Hydrochloric Acid SCHEMBL28096442 0.81 KDM4E (0.68) KDM4EHSD17B10LMNAALDH1A1HPGD
SCHEMBL28463042 0.80 TNKS (0.74) KDM4EHSD17B10LMNAALDH1A1HPGD
SCHEMBL7411788 0.80 KDM4E (0.67) KDM4EHSD17B10LMNAALDH1A1USP2
SCHEMBL13343644 0.80 KDM4E (0.67) KDM4EHSD17B10LMNAALDH1A1HPGD

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
CN-117088853-A Schizocommunications derivative, preparation method thereof and application thereof in inhibiting plant pathogenic bacteria 江苏大学 2023-11-21 CN disclosed
CN-115010671-B One-step synthesis method of 2-substituted quinazolinone 江苏大学 2023-10-10 CN disclosed
CN-115010671-A One-step synthesis method of 2-substituted quinazolinone 江苏大学 2022-09-06 CN disclosed