SCHEMBL7360994

SCHEMBL7360994

CCCCCC1CCC(c2nnc(-c3ccc(C(=O)O)cc3)s2)CC1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CSNK2A2 P19784 9/20 0.49
CSNK2A1 P68400 9/20 0.49
RARB P10826 8/20 0.43
CSNK2B P67870 1/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
RARA P10276 1/20 0.42
MAPT P10636 1/20 0.42
MTOR P42345 1/20 0.42
KMT2A Q03164 1/20 0.42
NR1H4 Q96RI1 1/20 0.41
DGAT1 O75907 1/20 0.40

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
SCHEMBL7611472 1.00 CSNK2A2 (0.49) CSNK2A2CSNK2A1RARBCSNK2BMEN1
SCHEMBL27465414 0.88 DGAT1 (0.42) CSNK2A2CSNK2A1MEN1ALDH1A1MAPT
SCHEMBL7338882 0.88 DGAT1 (0.42) CSNK2A2CSNK2A1MEN1ALDH1A1MAPT
SCHEMBL9333828 0.83 RAB9A (0.52) MEN1ALDH1A1MAPTKMT2A
SCHEMBL386878 0.82 GAA (0.52) MEN1ALDH1A1MAPTKMT2ADGAT1
SCHEMBL386879 0.82 GAA (0.52) MEN1ALDH1A1MAPTKMT2ADGAT1
SCHEMBL10422802 0.81 SMN1; SMN2 (0.38) CSNK2A2CSNK2A1MEN1ALDH1A1MAPT
SCHEMBL10422805 0.81 SMN1; SMN2 (0.38) CSNK2A2CSNK2A1MEN1ALDH1A1MAPT
SCHEMBL10422803 0.81 SMN1; SMN2 (0.38) CSNK2A2CSNK2A1MEN1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL6538467 0.81 CSNK2A2 (0.50) CSNK2A2CSNK2A1RARBCSNK2BMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1203089-C New compound FUJISAWA PHARMACEUTICAL CO (JP) 2005-05-25 CN disclosed
CN-1168675-A Novel compounds FUJISAWA PHARMACEUTICAL CO (JP) 1997-12-24 CN disclosed
WO-1996011210-A1 CYCLIC HEXAPEPTIDES HAVING ANTIBIOTIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-18 WO disclosed