SCHEMBL30224754

SCHEMBL30224754

COCCOCc1cc(NC2CCCC2)c2[nH]c(-c3ccccc3)cc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.37
ADORA1 P30542 2/20 0.37
CDC7 O00311 1/20 0.36
DBF4 Q9UBU7 1/20 0.36
NPY5R Q15761 6/20 0.35
CHEK1 O14757 1/20 0.35
KCNH2 Q12809 1/20 0.35
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 1/20 0.34
TUBB3 Q13509 1/20 0.34
TUBB2A Q13885 1/20 0.34
TUBB8 Q3ZCM7 1/20 0.34
TUBA3E Q6PEY2 1/20 0.34
TUBA1A Q71U36 1/20 0.34
TUBA1C Q9BQE3 1/20 0.34
TUBB6 Q9BUF5 1/20 0.34

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
SCHEMBL27237593 1.00 ADORA2A (0.37) ADORA2AADORA1CDC7DBF4NPY5R
SCHEMBL29185278 0.99 ADORA2A (0.39) ADORA2AADORA1CDC7DBF4NPY5R
SCHEMBL30224886 0.99 ADORA2A (0.39) ADORA2AADORA1CDC7DBF4NPY5R
SCHEMBL29185265 0.99 ADORA2A (0.37) ADORA2AADORA1CDC7DBF4NPY5R
SCHEMBL29185302 0.98 ADORA2A (0.35) ADORA2AADORA1CDC7DBF4NPY5R
SCHEMBL30224781 0.98 ADORA2A (0.35) ADORA2AADORA1CDC7DBF4NPY5R
SCHEMBL30224126 0.95 ADORA2A (0.37) ADORA2AADORA1CDC7DBF4NPY5R
SCHEMBL27237579 0.95 ADORA2A (0.37) ADORA2AADORA1CDC7DBF4NPY5R
SCHEMBL29185309 0.92 PRMT5 (0.39) NPY5RCHEK1KCNH2TUBB4ATUBB
SCHEMBL30848938 0.92 PRMT5 (0.39) NPY5RCHEK1KCNH2TUBB4ATUBB

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-117794917-A Novel indole derivatives, pharmaceutical compositions containing the same and uses thereof 水疗免疫疗法有限公司 2024-03-29 CN claimed
CN-117794917-A Novel indole derivatives, pharmaceutical compositions containing the same and uses thereof 水疗免疫疗法有限公司 2024-03-29 CN disclosed
WO-2023013994-A1 NOVEL INDOLE DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF 주식회사 미토이뮨테라퓨틱스 2023-02-09 WO disclosed