SCHEMBL4720196

SCHEMBL4720196

COc1cccc(-c2nn(-c3cc(N4CCCC4)ccc3C(F)(F)F)c(=O)c3c2CCN3CC(N)=O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.38
USP2 O75604 2/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
RAB9A P51151 1/20 0.38
TSHR P16473 3/20 0.37
KDM4E B2RXH2 2/20 0.37
S1PR1 P21453 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C9 P11712 2/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36

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
SCHEMBL4722372 0.93 F10 (0.38) MAPTCCR1F2F10CXCR3
SCHEMBL4719462 0.91 CXCR3 (0.35) TDP1USP2LMNAMAPTSMN1; SMN2
SCHEMBL4719364 0.90 P2RX7 (0.36) TDP1USP2LMNAMAPTSMN1; SMN2
SCHEMBL4719363 0.90 P2RX7 (0.36) TDP1USP2LMNAMAPTSMN1; SMN2
SCHEMBL4724946 0.89 TDP1 (0.39) TDP1USP2LMNAMAPTSMN1; SMN2
SCHEMBL4721583 0.88 MTNR1A (0.39) USP2SMN1; SMN2MAPK1KDM4ES1PR1
SCHEMBL4721585 0.88 MTNR1A (0.39) USP2SMN1; SMN2MAPK1KDM4ES1PR1
SCHEMBL14101709 0.87 F10 (0.39) MAPTS1PR1CCR1F2F10
SCHEMBL14101712 0.87 F10 (0.39) MAPTCCR1F2F10CXCR3
SCHEMBL4724015 0.86 MAPT (0.34) LMNAMAPTMAPK1ALDH1A1CYP2C9

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