SCHEMBL7579500

SCHEMBL7579500

COC(=O)Oc1c(-c2ccc(C#N)cc2)[nH]c2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
IDO1 P14902 2/20 0.42
PTPN1 P18031 1/20 0.42
TDO2 P48775 1/20 0.41
PTGS2 P35354 1/20 0.40
NR4A2 P43354 2/20 0.40
TUBB4A P04350 3/20 0.40
TUBB P07437 3/20 0.40
TUBA3C P0DPH7 3/20 0.40
TUBA1B P68363 3/20 0.40
TUBA4A P68366 3/20 0.40
TUBB4B P68371 3/20 0.40
TUBB3 Q13509 3/20 0.40
TUBB2A Q13885 3/20 0.40
TUBB8 Q3ZCM7 3/20 0.40
TUBA3E Q6PEY2 3/20 0.40
TUBA1A Q71U36 3/20 0.40
TUBA1C Q9BQE3 3/20 0.40

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
SCHEMBL8809770 0.74 NR4A2 (0.49) IDO1PTPN1NR4A2HSD17B10HPGD
SCHEMBL27602913 0.73 CXCR2 (0.44) KMT2A
SCHEMBL6995871 0.71 TUBB4A (0.53) PTGS2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9186814 0.70 MMP2 (0.55) HPGDKMT2AKDM4ERAB9A
SCHEMBL28974916 0.69 TUBB4A (0.57) PTGS2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL5635129 0.69 DRD2 (0.48) DRD2HTR2AHTR2CIDO1TDO2
SCHEMBL31006391 0.68 HTR2A (0.60) DRD2HTR2AHTR2CPPARGKDM4E
SCHEMBL22118368 0.68 MEN1 (0.49) DRD2HTR2AHTR2CTDO2KMT2A
SCHEMBL22118419 0.68 HTR2A (0.60) DRD2HTR2AHTR2CPPARGKDM4E
SCHEMBL18671102 0.68 MGLL (0.54) KMT2AKDM4ERAB9A

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-1222167-A2 METHOD FOR PRODUCING INDOLE DERIVATIVES ON A SOLID PHASE MERCK PATENT GmbH (DE) 2002-07-17 EP disclosed
WO-2001023353-A2 METHOD FOR PRODUCING INDOLE DERIVATIVES ON A SOLID PHASE MERCK PATENT GMBH (DE) 2001-04-05 WO disclosed