SCHEMBL13768445

SCHEMBL13768445

FC(F)(F)c1cccc(Nc2ccccc2COCCN(Cc2ccccn2)Cc2ccccn2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
HTT P42858 1/20 0.43
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
EGFR P00533 1/20 0.40
KDR P35968 1/20 0.40
LIN28A Q9H9Z2 1/20 0.40
PTK6 Q13882 1/20 0.39
YAP1 P46937 1/20 0.39
TEAD4 Q15561 1/20 0.39
TEAD2 Q15562 1/20 0.39
RXFP1 Q9HBX9 3/20 0.38
IDH2 P48735 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
SCHEMBL4015317 0.80 LMNA (0.60) ALDH1A1TDP1HTTMAPTLMNA
SCHEMBL4016010 0.70 MAPT (0.40) TDP1MAPTSMN1; SMN2LMNALIN28A
SCHEMBL13768806 0.68 MAPT (0.62) ALDH1A1TDP1MAPTSMN1; SMN2LMNA
SCHEMBL20694123 0.68 ALDH1A1 (0.61) ALDH1A1HTTMAPTSMN1; SMN2GAA
SCHEMBL28334006 0.67 ALDH1A1 (0.67) ALDH1A1TDP1HTTMAPTSMN1; SMN2
SCHEMBL1921484 0.67 MAPT (0.77) ALDH1A1HTTMAPTSMN1; SMN2GAA
SCHEMBL13768698 0.66 ALDH1A1 (0.49) ALDH1A1TDP1HTTMAPTSMN1; SMN2
SCHEMBL7341511 0.66 MAPT (0.58) ALDH1A1HTTMAPTSMN1; SMN2GAA
SCHEMBL7350113 0.65 YAP1 (0.55) ALDH1A1HTTMAPTSMN1; SMN2GAA
SCHEMBL7342714 0.65 YAP1 (0.55) ALDH1A1HTTMAPTSMN1; SMN2GAA

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
WO-2009084737-A1 COMPOUND HAVING ACTIVITY TO SUPPRESS DEGRANULATION AND CYTOKINE PRODUCTION AND USE THEREOF INTERPROTEIN CORPORATION (JP) 2009-07-09 WO disclosed