SCHEMBL20181876

SCHEMBL20181876

c1cc(Oc2cnc3cc[nH]c3c2)c2cc[nH]c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 7/20 0.56
TRPA1 O75762 1/20 0.49
MEN1 O00255 2/20 0.42
MAPK1 P28482 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 1/20 0.42
HTR1B P28222 2/20 0.40
BRAF P15056 1/20 0.40
HTR1A P08908 4/20 0.39
DRD4 P21917 2/20 0.39
DRD3 P35462 2/20 0.39
DRD2 P14416 1/20 0.39
EGFR P00533 1/20 0.38
ERBB2 P04626 1/20 0.38
APP P05067 1/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
LMNA P02545 2/20 0.37
ADRB2 P07550 2/20 0.37
ADRB1 P08588 2/20 0.37

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
SCHEMBL1499400 0.76 RHEB (0.73) RHEBTRPA1MEN1MAPK1KMT2A
SCHEMBL4716647 0.75 RHEB (0.69) RHEBTRPA1MEN1MAPK1KMT2A
SCHEMBL9687165 0.72 RHEB (0.55) RHEBTRPA1MEN1MAPK1KMT2A
SCHEMBL20535840 0.72 RHEB (1.00) RHEBTRPA1HTR1ASLC6A3
SCHEMBL20536163 0.72 RHEB (0.68) RHEBTRPA1MEN1MAPK1KMT2A
SCHEMBL12925129 0.72 MMP12 (0.56) MEN1MAPK1KMT2AEGFRAPP
SCHEMBL31200193 0.72 MMP12 (0.56) MEN1MAPK1KMT2AEGFRAPP
SCHEMBL9047954 0.71 RHEB (0.72) RHEBTRPA1MEN1MAPK1KMT2A
SCHEMBL13915642 0.71 RHEB (0.59) RHEBTRPA1MEN1MAPK1KMT2A
SCHEMBL31156705 0.70 RHEB (0.53) RHEBTRPA1MEN1MAPK1KMT2A

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
WO-2018093968-A1 IMIDAZOPYRIDAZINE MODULATORS OF IL-12, IL-23 AND/OR IFN-ALPHA BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-24 WO disclosed