SCHEMBL3242948

SCHEMBL3242948

Cc1n[nH]cc1-c1ccc(NC(=O)OCc2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.62
POLB P06746 1/20 0.55
PDE3B Q13370 1/20 0.53
PDE3A Q14432 1/20 0.53
TP53 P04637 2/20 0.52
MAPT P10636 2/20 0.52
PTGDR2 Q9Y5Y4 2/20 0.50
MGLL Q99685 2/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
KDM1A O60341 2/20 0.48
MAOA P21397 2/20 0.48
MAOB P27338 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
RCOR1 Q9UKL0 1/20 0.47
ENPP2 Q13822 2/20 0.46
PTPN1 P18031 1/20 0.46
NAMPT P43490 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL3238410 0.88 ROCK2 (0.64) ROCK2POLBPDE3BPDE3ATP53
SCHEMBL3245430 0.81 ROCK2 (0.62) ROCK2MAPTPTGDR2RAB9AALDH1A1
SCHEMBL3245892 0.81 ROCK2 (0.62) ROCK2TP53MAPTNPC1RAB9A
SCHEMBL3255236 0.80 NPC1 (0.46) ROCK2POLBMGLLNPC1RAB9A
SCHEMBL5852207 0.78 POLB (0.68) ROCK2POLBTP53MAPTPTGDR2
SCHEMBL7295061 0.77 ROCK2 (0.60) ROCK2POLBPDE3BPDE3ATP53
SCHEMBL3248274 0.77 ROCK2 (1.00) ROCK2POLBMGLL
SCHEMBL9128045 0.76 ROCK2 (0.69) ROCK2POLBPDE3BPDE3ATP53
SCHEMBL13390958 0.76 ROCK2 (0.51) ROCK2NPC1RAB9A
SCHEMBL3786345 0.76 KDM1A (0.60) ROCK2POLBPDE3BPDE3ATP53

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-2010036316-A1 UREA AND CARBAMATE COMPOUNDS AND ANALOGS AS KINASE INHIBITORS FENG YANGBO (US) 2010-04-01 WO claimed
WO-2010036316-A1 UREA AND CARBAMATE COMPOUNDS AND ANALOGS AS KINASE INHIBITORS FENG YANGBO (US) 2010-04-01 WO disclosed