SCHEMBL8528482

SCHEMBL8528482

COC(=O)c1c(C(=O)O)[nH]c2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.67
ALOX5 P09917 5/20 0.58
MEN1 O00255 4/20 0.57
KMT2A Q03164 4/20 0.57
TUBB4A P04350 1/20 0.57
TUBB P07437 1/20 0.57
TUBA3C P0DPH7 1/20 0.57
TUBA1B P68363 1/20 0.57
TUBA4A P68366 1/20 0.57
TUBB4B P68371 1/20 0.57
TUBB3 Q13509 1/20 0.57
TUBB2A Q13885 1/20 0.57
TUBB8 Q3ZCM7 1/20 0.57
TUBA3E Q6PEY2 1/20 0.57
TUBA1A Q71U36 1/20 0.57
TUBA1C Q9BQE3 1/20 0.57
TUBB6 Q9BUF5 1/20 0.57
TUBB2B Q9BVA1 1/20 0.57
TUBB1 Q9H4B7 1/20 0.57
KDM4E B2RXH2 5/20 0.56

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
SCHEMBL3275502 0.90 NR4A2 (0.71) NR4A2ALOX5MEN1KMT2ATUBB4A
SCHEMBL3275504 0.87 MEN1 (0.65) NR4A2ALOX5MEN1KMT2ATUBB4A
SCHEMBL27528293 0.83 TUBB4A (0.60) ALOX5MEN1KMT2ATUBB4ATUBB
SCHEMBL29219478 0.83 ALDH1A1 (0.50) NR4A2MEN1KMT2ATUBB4ATUBB
SCHEMBL8532389 0.83 NR4A2 (0.57) NR4A2ALOX5MEN1KMT2ATUBB4A
SCHEMBL87871 0.83 KDM4E (0.65) MEN1KMT2AKDM4EALDH1A1HSD17B10
SCHEMBL5438097 0.82 NR4A2 (0.69) NR4A2ALOX5MEN1KMT2ATUBB4A
SCHEMBL30688567 0.82 NR4A2 (0.60) NR4A2ALOX5MEN1KMT2ATUBB4A
SCHEMBL29955046 0.81 KDM4E (0.66) NR4A2MEN1KMT2AKDM4EALDH1A1
SCHEMBL2339411 0.81 KDM4E (0.66) NR4A2MEN1KMT2AKDM4EALDH1A1

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
US-5786361-A ANTIATHEROSCLEROSIC AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1998-07-28 US disclosed
EP-0802198-A2 Pyridazino-, pyrimido, pyrazino and triazino-indoles BAYER AG (DE) 1997-10-22 EP disclosed