SCHEMBL4724946

SCHEMBL4724946

COc1cccc(-c2nn(-c3cc(N4CCCC4)ccc3C(F)(F)F)c(=O)c3c2CCN3C(N)=O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.39
RAB9A P51151 2/20 0.39
MAPT P10636 2/20 0.39
MAPK1 P28482 2/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 2/20 0.38
TSHR P16473 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
S1PR1 P21453 1/20 0.38
CYP2C9 P11712 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
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

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
SCHEMBL4720459 0.93 F10 (0.40) MAPTF10F2
SCHEMBL4721854 0.90 P2RX7 (0.37) TDP1RAB9AMAPTMAPK1USP2
SCHEMBL4723936 0.90 SMN1; SMN2 (0.35) TDP1RAB9AMAPTMAPK1USP2
SCHEMBL4721851 0.90 P2RX7 (0.37) TDP1RAB9AMAPTMAPK1USP2
SCHEMBL4720196 0.89 TDP1 (0.38) TDP1RAB9AMAPTMAPK1USP2
SCHEMBL4720957 0.87 PDE4A (0.38) MAPTUSP2KDM4EALDH1A1HPGD
SCHEMBL4721648 0.87 MTNR1A (0.39) MAPK1USP2SMN1; SMN2KDM4EALDH1A1
SCHEMBL4721652 0.87 MTNR1A (0.39) MAPK1USP2SMN1; SMN2KDM4EALDH1A1
SCHEMBL4724669 0.86 MAPT (0.35) RAB9AMAPTMAPK1USP2LMNA
SCHEMBL14101733 0.83 F10 (0.38) MAPTMAPK1GAASMN1; SMN2KDM4E

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-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed
EP-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed