SCHEMBL13148432

SCHEMBL13148432

COC(=O)c1c(-c2ccccc2F)[nH]c2cnccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TUBB4A P04350 1/20 0.49
▸ TUBB P07437 1/20 0.49
▸ TUBA3C P0DPH7 1/20 0.49
▸ TUBA1B P68363 1/20 0.49
▸ TUBA4A P68366 1/20 0.49
▸ TUBB4B P68371 1/20 0.49
▸ TUBB3 Q13509 1/20 0.49
▸ TUBB2A Q13885 1/20 0.49
▸ TUBB8 Q3ZCM7 1/20 0.49
▸ TUBA3E Q6PEY2 1/20 0.49
▸ TUBA1A Q71U36 1/20 0.49
▸ TUBA1C Q9BQE3 1/20 0.49
▸ TUBB6 Q9BUF5 1/20 0.49
▸ TUBB2B Q9BVA1 1/20 0.49
▸ TUBB1 Q9H4B7 1/20 0.49
▸ ALOX5 P09917 2/20 0.45
▸ NR4A2 P43354 2/20 0.45
▸ PDE10A Q9Y233 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.41
▸ GABRP O00591 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
SCHEMBL13149180 0.76 PIM1 (0.53) PDE10AKDM4EGABRPGABRDALDH1A1
SCHEMBL15173538 0.75 NR4A2 (0.63) NR4A2KDM4EALDH1A1HPGDCHUK
SCHEMBL13148311 0.74 CHUK (0.50) PDE10AKDM4EGABRPGABRDALDH1A1
SCHEMBL3773933 0.74 CHUK (0.50) PDE10AKDM4EGABRPGABRDALDH1A1
SCHEMBL23376878 0.73 SLC22A12 (0.47) KDM4EALDH1A1DHODHLMNAMAPT
SCHEMBL13148102 0.71 PDE10A (0.58) PDE10AKDM4EGABRPGABRDALDH1A1
SCHEMBL19988459 0.70 KDM4E (0.44) NR4A2KDM4EGABRPGABRDALDH1A1
SCHEMBL1156242 0.69 NR4A2 (0.50) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL31312750 0.69 TUBB4A (0.62) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL21956760 0.68 KDM5A (0.52) KDM4EALDH1A1HPGDCHUKPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010115901-A1 PYRROLOPYRIDINE THERAPEUTIC COMPOUNDS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2010-10-14 — — WO disclosed
Send feedback