SCHEMBL6281731

SCHEMBL6281731

O=C1[N]c2ccccc2CC1c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTRC Q99895 1/20 0.39
KMT2A Q03164 2/20 0.39
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
CFTR P13569 1/20 0.39
GOPC Q9HD26 1/20 0.39
TSHR P16473 1/20 0.39
SIGMAR1 Q99720 4/20 0.38
CYP19A1 P11511 2/20 0.37
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
MEN1 O00255 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
HTR2B P41595 2/20 0.35
HRH3 Q9Y5N1 2/20 0.35
ALDH1A1 P00352 1/20 0.35
ALDH2 P05091 1/20 0.35

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
SCHEMBL5362473 0.77 CFTR (0.43) CTRCKMT2ADDB1CRBNCFTR
SCHEMBL4773686 0.74 ACHE (0.48) KMT2ATSHRCYP19A1MEN1CYP2D6
SCHEMBL2345374 0.68 ACHE (0.55) SIGMAR1CYP19A1MAPTCYP3A4HTR2B
SCHEMBL30785363 0.68 ACHE (0.55) SIGMAR1CYP19A1MAPTCYP3A4HTR2B
SCHEMBL15657030 0.67 KMT2A (0.52) CTRCKMT2ADDB1CRBNCFTR
SCHEMBL11881965 0.66 SIGMAR1 (0.66) KMT2ASIGMAR1MEN1CYP3A4CYP2D6
SCHEMBL1828312 0.65 KMT2A (0.41) CTRCKMT2ADDB1CRBNCFTR
SCHEMBL5668502 0.64 DDB1 (0.50) KMT2ADDB1CRBNCFTRGOPC
SCHEMBL72984 0.64 SIRT1 (0.48) CTRCKMT2ACFTRGOPCTSHR
Charcoal, Activated SCHEMBL2025121 0.63 SIRT1 (0.47) CTRCKMT2ACFTRGOPCTSHR

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
US-6855726-B1 Quinolones as serine protease inhibitors WARNER-LAMBERT COMPANY LLC (US) 2005-02-15 US claimed
US-6855726-B1 Quinolones as serine protease inhibitors WARNER-LAMBERT COMPANY LLC (US) 2005-02-15 US disclosed