SCHEMBL7615580

SCHEMBL7615580

O=C(NC1CC1)[C@@H](Br)CCCBr

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
SMYD3 Q9H7B4 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
SIGMAR1 Q99720 1/20 0.33
LMNA P02545 1/20 0.33
BLM P54132 1/20 0.33
EPHX2 P34913 1/20 0.32
PKM P14618 1/20 0.32
MMP2 P08253 1/20 0.31
MMP8 P22894 1/20 0.31
HDAC4 P56524 2/20 0.31
HDAC1 Q13547 2/20 0.31
GAA P10253 1/20 0.30
RAB9A P51151 1/20 0.30
ZDHHC7 Q9NXF8 1/20 0.30

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
SCHEMBL7615575 1.00 KMT2A (0.41) KMT2ASMYD3SMN1; SMN2SIGMAR1LMNA
SCHEMBL7615570 1.00 KMT2A (0.41) KMT2ASMYD3SMN1; SMN2SIGMAR1LMNA
SCHEMBL8806885 0.89 KMT2A (0.43) KMT2ASMYD3SMN1; SMN2SIGMAR1LMNA
SCHEMBL14917751 0.85 EPHX2 (0.35) SIGMAR1EPHX2RAB9A
SCHEMBL27339703 0.79 SMYD3 (0.42) KMT2ASMYD3SMN1; SMN2SIGMAR1LMNA
SCHEMBL27343743 0.77 EPHX1 (0.48) KMT2ASMYD3SIGMAR1LMNABLM
SCHEMBL2597299 0.77 EPHX1 (0.53) KMT2AEPHX2HDAC4HDAC1RAB9A
SCHEMBL15114600 0.75 FPR2 (0.41) SIGMAR1EPHX2
SCHEMBL788997 0.74 EPHX2 (0.36) EPHX2RAB9A
SCHEMBL789128 0.72 EPHX2 (0.35) KMT2ASIGMAR1EPHX2HDAC4HDAC1

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
EP-0620225-B1 Cephalosporin derivatives BASILEA PHARMACEUTICA AG (CH) 2002-11-13 EP disclosed
US-5523400-A 3-(PYRROLIDIN-3-YLIDENE=CH-),7-((2-AMINOTHIAZOL-4-YL)HYDROX -IMINOACETYLAMINO-)-3-CEPHEM DERIVATIVES; BROAD SPECTRUM ANTIBIOTICS HOFFMANN-LA ROCHE INC. (US) 1996-06-04 US disclosed
EP-0620225-A1 Cephalosporin derivatives F. HOFFMANN-LA ROCHE AG (CH) 1994-10-19 EP disclosed