SCHEMBL6132323

SCHEMBL6132323

CC1CN(c2ccc(-c3ccc(N4CCN(c5ccc(C(=O)O)cc5)CC4)cc3)cc2)CC(C)O1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.57
CHEK1 O14757 3/20 0.53
KDM4E B2RXH2 2/20 0.48
MAPT P10636 1/20 0.47
KMT2A Q03164 4/20 0.45
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 3/20 0.44
SLC6A7 Q99884 2/20 0.44
POLB P06746 1/20 0.44
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HPGD P15428 1/20 0.43
HRH3 Q9Y5N1 1/20 0.40
IP6K1 Q92551 1/20 0.40
IP6K3 Q96PC2 1/20 0.40
IP6K2 Q9UHH9 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
SCHEMBL6132320 1.00 USP2 (0.57) USP2CHEK1KDM4EMAPTKMT2A
SCHEMBL6132666 1.00 USP2 (0.57) USP2CHEK1KDM4EMAPTKMT2A
SCHEMBL6132668 1.00 USP2 (0.57) USP2CHEK1KDM4EMAPTKMT2A
SCHEMBL6132857 0.96 USP2 (0.62) USP2CHEK1KDM4EMAPTKMT2A
SCHEMBL6132861 0.96 USP2 (0.62) USP2CHEK1KDM4EMAPTKMT2A
SCHEMBL607498 0.91 USP2 (0.58) USP2KDM4EMAPTKMT2AALDH1A1
SCHEMBL6132480 0.85 ALDH1A1 (0.53) KDM4EMAPTKMT2AALDH1A1MEN1
SCHEMBL6132481 0.85 ALDH1A1 (0.53) KDM4EMAPTKMT2AALDH1A1MEN1
SCHEMBL6132936 0.83 CSNK2A2 (0.48) USP2MAPTALDH1A1
SCHEMBL6132938 0.83 CSNK2A2 (0.48) USP2MAPTALDH1A1

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
US-6884868-B1 Cyclic hexapeptides having antibiotic activity FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-04-26 US disclosed