SCHEMBL6277953

SCHEMBL6277953

Cc1ccc(CN2CCN(C(=O)c3ccc4[nH]cnc4c3)CC2)cc1.O=C(c1ccc2[nH]cnc2c1)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.57
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
STAT3 P40763 3/20 0.47
PHGDH O43175 1/20 0.47
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 3/20 0.46
POLB P06746 1/20 0.46
MAPK8 P45983 1/20 0.45
MAPK10 P53779 1/20 0.45
MAPK7 Q13164 2/20 0.45
TSHR P16473 1/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPK14 Q16539 1/20 0.43
PKM P14618 1/20 0.43
MAPK1 P28482 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43

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
SCHEMBL1062525 0.95 LSS (0.59) LSSSTAT3ALDH1A1KDM4EMAPK8
SCHEMBL1063883 0.90 L3MBTL1 (0.56) TDP1L3MBTL1ALDH1A1KDM4EPOLB
SCHEMBL1062764 0.85 LSS (0.59) LSSL3MBTL1ALDH1A1TSHRLMNA
SCHEMBL22516948 0.84 LSS (0.78) LSSALDH1A1KDM4EPOLBTSHR
SCHEMBL1063461 0.83 MEN1 (0.49) LSSL3MBTL1ALDH1A1KDM4EPOLB
SCHEMBL1063797 0.82 LMNA (0.55) L3MBTL1ALDH1A1KDM4ETSHRLMNA
SCHEMBL1063679 0.81 GPR183 (0.57) LSSL3MBTL1ALDH1A1KDM4EPOLB
SCHEMBL1064485 0.80 SMN1; SMN2 (0.61) L3MBTL1ALDH1A1KDM4EPOLBTSHR
SCHEMBL1059658 0.78 MAPK14 (0.58) LSSL3MBTL1ALDH1A1KDM4EPOLB
SCHEMBL1063340 0.78 MAPK14 (0.49) L3MBTL1ALDH1A1KDM4EPOLBSMN1; SMN2

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-2005110455-A2 COMBINATION THERAPY FOR TREATING HEPATITIS VIRUS INFECTION INTERMUNE, INC. (US) 2005-11-24 WO disclosed