SCHEMBL6016980

SCHEMBL6016980

COc1ccc(N(CC2CCCCC2)c2nc(N)nc(Cl)n2)cc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.38
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37
TUBB2A Q13885 1/20 0.37
TUBB8 Q3ZCM7 1/20 0.37
TUBA3E Q6PEY2 1/20 0.37
TUBA1A Q71U36 1/20 0.37
TUBA1C Q9BQE3 1/20 0.37
TUBB6 Q9BUF5 1/20 0.37
TUBB2B Q9BVA1 1/20 0.37
TUBB1 Q9H4B7 1/20 0.37
LTC4S Q16873 6/20 0.37
GALR1 P47211 1/20 0.36
PIK3CA P42336 1/20 0.35
RECQL P46063 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
SCHEMBL4841050 0.82 SMN1; SMN2 (0.39) SMN1; SMN2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL5555659 0.80 PDGFRB (0.32) LTC4SGALR1PIK3CA
SCHEMBL6232918 0.79 GALR1 (0.37) SMN1; SMN2GALR1PIK3CAKMT2AL3MBTL1
SCHEMBL5032177 0.79 KDM4E (0.40) SMN1; SMN2GALR1KMT2AMEN1LMNA
SCHEMBL6428170 0.79 GALR1 (0.37) SMN1; SMN2GALR1FGFR3L3MBTL1FGFR1
SCHEMBL6853372 0.79 CCNA2 (0.34) SMN1; SMN2LTC4SGALR1PIK3CAKMT2A
SCHEMBL6233028 0.78 CYP19A1 (0.41) SMN1; SMN2GALR1PIK3CAKMT2AMEN1
SCHEMBL6864393 0.77 DRD2 (0.41) GALR1LMNA
SCHEMBL6819109 0.77 LMNA (0.45) SMN1; SMN2PIK3CAFGFR3LMNAFGFR1
SCHEMBL5428789 0.75 GALR1 (0.43) SMN1; SMN2GALR1PIK3CAKMT2AL3MBTL1

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
US-7132423-B2 Methods and compositions of novel triazine compounds REDDY US THERAPEUTICS, INC. (US) 2006-11-07 US disclosed