SCHEMBL13063736

SCHEMBL13063736

Cc1cccc2c1[C@](C)(S)CCC2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.41
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
NR4A1 P22736 1/20 0.38
HTT P42858 1/20 0.38
HTR5A P47898 2/20 0.38
ALOX12 P18054 1/20 0.36
HDAC4 P56524 2/20 0.33
BCL2L1 Q07817 1/20 0.33
BAD Q92934 1/20 0.33
CD44 P16070 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 1/20 0.33
HTR7 P34969 3/20 0.32
TAS1R3 Q7RTX0 1/20 0.31
TAS1R1 Q7RTX1 1/20 0.31
TAS1R2 Q8TE23 1/20 0.31

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
SCHEMBL12506889 1.00 KDM1A (0.41) KDM1AALDH1A1HPGDKDM4ELMNA
SCHEMBL14712000 0.79 KDM1A (0.42) KDM1AALDH1A1HPGDKDM4ELMNA
SCHEMBL25027774 0.72 CD44 (0.38) KDM1AALDH1A1HPGDKDM4ELMNA
SCHEMBL20687392 0.71 KDM1A (0.46) KDM1AALDH1A1HPGDKDM4ELMNA
SCHEMBL829495 0.71 KDM1A (0.44) KDM1AALDH1A1HPGDKDM4ELMNA
SCHEMBL22989888 0.67 HTR5A (0.37) KDM1AALDH1A1HPGDKDM4ELMNA
SCHEMBL20445640 0.65 KDM1A (0.47) KDM1AALDH1A1HPGDKDM4ELMNA
SCHEMBL598625 0.65 BCL2L1 (0.58) ALDH1A1LMNAHTTALOX12BCL2L1
SCHEMBL29892288 0.65 BCL2L1 (0.52) ALDH1A1LMNAALOX12BCL2L1BAD
SCHEMBL30717272 0.65 BCL2L1 (0.58) ALDH1A1LMNAHTTALOX12BCL2L1

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-2258690-B1 Tricyclic amines as intermediates in the synthesis of fungicidal carboxamide derivatives SYNGENTA PARTICIPATIONS AG (CH) 2013-02-20 EP disclosed
EP-2258690-A1 Tricyclic amines as intermediates in the synthesis of fungicidal carboxamide derivatives Syngenta Participations AG (CH) 2010-12-08 EP disclosed