SCHEMBL7160362

SCHEMBL7160362

Cc1ccc(-n2c[c]nc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.35
ELANE P08246 1/20 0.35
CTSG P08311 1/20 0.35
CMA1 P23946 1/20 0.35
CTRC Q99895 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.34
NOTUM Q6P988 2/20 0.34
KDM4E B2RXH2 2/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 4/20 0.33
ACHE P22303 1/20 0.33
MGLL Q99685 1/20 0.33
CYP1A2 P05177 2/20 0.31
CYP2C9 P11712 2/20 0.31
ADRB1 P08588 1/20 0.31
MAOB P27338 1/20 0.31
HCAR1 Q9BXC0 1/20 0.31
ALDH1A1 P00352 4/20 0.30
MAPT P10636 5/20 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
SCHEMBL1040317 0.79 NOTUM (0.34) NOTUMTDP1MGLLMAOBHCAR1
SCHEMBL4716988 0.79 ENPP2 (0.47) KDM4EALOX15TDP1MGLLALDH1A1
SCHEMBL17626275 0.79 NOTUM (0.47) F2NOTUMMGLLADRB1MAPT
SCHEMBL1900336 0.75 KDM4E (0.37) ELANENOTUMKDM4ETSHRALDH1A1
SCHEMBL7124670 0.74 KMT2A (0.40) L3MBTL1ALDH1A1MAPTLMNAHPGD
SCHEMBL7160454 0.71 ALKBH5 (0.39) NOTUM
SCHEMBL6518759 0.70 CYP2C9 (0.58) F2ELANECTSGCMA1CTRC
SCHEMBL5535953 0.65 ELANE (0.38) F2ELANECTSGCMA1CTRC
SCHEMBL171705 0.64 LMNA (0.64) NOTUMALOX15TSHRTDP1CYP1A2
SCHEMBL1366622 0.62 L3MBTL1 (0.56) F2ELANECTSGCMA1CTRC

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
EP-1358165-A1 IMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-11-05 EP disclosed
WO-2002060877-A1 IMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-08-08 WO disclosed