SCHEMBL9328826

SCHEMBL9328826

O=C1CCCCC1c1cncnc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 1/20 0.42
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
KMT2A Q03164 1/20 0.36
HCAR1 Q9BXC0 2/20 0.34
MCL1 Q07820 1/20 0.33
SLC18A3 Q16572 1/20 0.32
MAPT P10636 1/20 0.32
CYP11B2 P19099 1/20 0.32
PDE9A O76083 1/20 0.31

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
SCHEMBL23595821 0.79 CYP11B2 (0.54) KMT2AMAPTCYP11B2
SCHEMBL3438226 0.79 CYP11B2 (0.54) KMT2AMAPTCYP11B2
SCHEMBL9330239 0.78 TLR4 (0.37) TLR4CA1CA2CA4KMT2A
SCHEMBL9329125 0.78 CYP11B2 (0.57) KMT2AMAPTCYP11B2
SCHEMBL3438253 0.77 DDB1 (0.50) TLR4CA1CA2CA4KMT2A
SCHEMBL10743801 0.75 KDM4E (0.39)
Ethylene SCHEMBL27706119 0.74 DDB1 (0.47) TLR4CA1CA2CA4KMT2A
SCHEMBL9328081 0.73 CYP11B2 (0.51) KMT2AMAPTCYP11B2
SCHEMBL15874652 0.72 SLC18A3 (0.51) TLR4CA1MCL1SLC18A3MAPT
SCHEMBL190786 0.72 SLC18A3 (0.51) TLR4CA1MCL1SLC18A3MAPT

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-0321274-B1 Derivatives of thioformamide MAY & BAKER LTD (GB) 1994-03-30 EP disclosed
US-5151436-A Compounds for inhibiting hair loss in men RHONE-POULENC SANTE (FR) 1992-09-29 US disclosed
EP-0321274-A1 Derivatives of thioformamide RHONE POULENC RORER LIMITED (GB) 1989-06-21 EP disclosed