SCHEMBL11356993

SCHEMBL11356993

COc1cc(N)ccc1SC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.52
GAA P10253 2/20 0.52
MAPK1 P28482 2/20 0.52
TSHR P16473 2/20 0.52
HTT P42858 1/20 0.52
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 3/20 0.47
NR4A1 P22736 1/20 0.46
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.43
IMPDH2 P12268 1/20 0.40
IMPDH1 P20839 1/20 0.40
CYP19A1 P11511 4/20 0.39
TDP1 Q9NUW8 2/20 0.38
NQO2 P16083 1/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38

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
SCHEMBL3783961 0.82 MAPT (0.50) MAPTGAAMAPK1TSHRHTT
SCHEMBL31457333 0.79 PDE7A (0.55) MAPTGAAMAPK1TSHRHTT
SCHEMBL13807507 0.77 HTR2A (0.54) MAPTGAAMAPK1TSHRHTT
SCHEMBL9914231 0.77 ACHE (0.58) MAPTGAAMAPK1ALDH1A1USP2
SCHEMBL3511278 0.77 CA12 (0.58) MAPTGAAALDH1A1LMNACYP3A4
SCHEMBL31050347 0.75 KDM4E (0.40) TSHRKDM4ETDP1TUBB4ATUBB
SCHEMBL5746669 0.75 MAOB (0.57) MAPTGAAALDH1A1KDM4ETDP1
SCHEMBL18929533 0.75 MEN1 (0.48) ALDH1A1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL16960500 0.75 ALOX15 (0.38) MAPTGAAALDH1A1KDM4ELMNA
SCHEMBL12696914 0.75 IDO1 (0.40) TSHRKDM4ETUBB4ATUBBTUBA3C

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
WO-2010007756-A1 PYRIDINE DERIVATIVE HAVING TTK INHIBITION ACTIVITY 塩野義製薬株式会社 (JP) 2010-01-21 WO disclosed
US-4294756-A AZO-IMIDAZOLE DYE, POLYACRYLONITRILE BAYER AKTIENGESELLSCHAFT (DE) 1981-10-13 US disclosed