SCHEMBL19986172

SCHEMBL19986172

Cc1cc(-c2cccc(-c3ccccc3)c2)c2ccncc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.46
KDM4C Q9H3R0 1/20 0.43
TNF P01375 1/20 0.42
ALDH1A1 P00352 3/20 0.42
MAPT P10636 3/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
RECQL P46063 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ATM Q13315 1/20 0.41
HPGD P15428 2/20 0.40
MAPK10 P53779 1/20 0.40
USP2 O75604 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CYP1A2 P05177 3/20 0.39
CYP17A1 P05093 2/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 0.39

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
SCHEMBL19986171 0.91 DHODH (0.51) DHODHKDM4CTNFALDH1A1MAPT
SCHEMBL19986173 0.91 ALDH1A1 (0.49) DHODHKDM4CTNFALDH1A1MAPT
SCHEMBL19986175 0.85 CYP1A2 (0.55) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL12315322 0.75 CRHR1 (0.43) ALDH1A1MAPTKDM4ELMNAHPGD
SCHEMBL18731749 0.75 CYP1A2 (0.58) ALDH1A1MAPTKDM4ENPSR1HPGD
SCHEMBL1104820 0.74 CYP1A2 (0.62) ALDH1A1MAPTKDM4ENPSR1HPGD
SCHEMBL16189055 0.74 ACACA (0.47) ALDH1A1MAPTKDM4EMEN1LMNA
SCHEMBL15973400 0.74 CRHR1 (0.43) ALDH1A1MAPTKDM4ELMNAHPGD
SCHEMBL15983877 0.74 KIF11 (0.41) ALDH1A1MAPTKDM4EMEN1LMNA
SCHEMBL23873492 0.73 GRM4 (0.53) TNFCYP1A2CYP17A1PIK3CA

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
US-20180083202-A1 COMPOUND FOR ORGANIC OPTOELECTRIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRIC DEVICE AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2018-03-22 US disclosed