SCHEMBL6531077

SCHEMBL6531077

COc1c(-c2ccc([N+](=O)[O-])cc2)cc(C(=O)O)c2c3ccccc3n(C)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 4/20 0.43
TUBB P07437 4/20 0.43
TUBA3C P0DPH7 4/20 0.43
TUBA1B P68363 4/20 0.43
TUBA4A P68366 4/20 0.43
TUBB4B P68371 4/20 0.43
TUBB3 Q13509 4/20 0.43
TUBB2A Q13885 4/20 0.43
TUBB8 Q3ZCM7 4/20 0.43
TUBA3E Q6PEY2 4/20 0.43
TUBA1A Q71U36 4/20 0.43
TUBA1C Q9BQE3 4/20 0.43
TUBB6 Q9BUF5 4/20 0.43
TUBB2B Q9BVA1 4/20 0.43
TUBB1 Q9H4B7 4/20 0.43
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
F2RL3 Q96RI0 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41

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
SCHEMBL5026571 1.00 TUBB4A (0.43) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5016432 0.87 CDK2 (0.41) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5022815 0.86 AR (0.50) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5022316 0.82 PPARG (0.47) KMT2ALMNAPPARG
SCHEMBL4026840 0.77 MAPT (0.46) MAPTSMN1; SMN2F2RL3MEN1KMT2A
SCHEMBL4026844 0.77 MAPT (0.46) MAPTSMN1; SMN2F2RL3MEN1KMT2A
SCHEMBL5023377 0.77 AR (0.48) MEN1KMT2ALMNAPPARG
SCHEMBL6533698 0.77 TSPO (0.43) MAPTSMN1; SMN2F2RL3MEN1KMT2A
SCHEMBL6470871 0.76 CD40 (0.39) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL5016364 0.74 PPARG (0.41) LMNACDK2PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1554262-A1 NOVEL TRICYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Glenmark Pharmaceuticals Limited (IN) 2005-07-20 EP disclosed
WO-2004037805-A1 NOVEL TRICYCLIC COMPOUNDS USEFUL FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS LTD. (US) 2004-05-06 WO disclosed