SCHEMBL28010989

SCHEMBL28010989

N#Cc1cc(-c2ccccc2)cc(F)c1C#N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.51
CYP11B2 P19099 2/20 0.51
ALDH1A1 P00352 6/20 0.45
KDM4E B2RXH2 4/20 0.45
MCL1 Q07820 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HPGD P15428 1/20 0.45
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
FLT3 P36888 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ESR1 P03372 2/20 0.40
ESR2 Q92731 2/20 0.40
TRPV4 Q9HBA0 1/20 0.39
HTT P42858 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39
ADORA1 P30542 5/20 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
SCHEMBL22609642 0.86 ALDH1A1 (0.52) CYP11B1CYP11B2ALDH1A1KDM4EMCL1
SCHEMBL22170335 0.82 PIK3CD (0.47) CYP11B1CYP11B2KDM4EHPGDESR1
SCHEMBL16098270 0.80 ALDH1A1 (0.50) CYP11B1CYP11B2ALDH1A1KDM4EMCL1
SCHEMBL16122294 0.79 CYP11B1 (0.51) CYP11B1CYP11B2ALDH1A1KDM4EMCL1
SCHEMBL16122648 0.79 CYP11B1 (0.51) CYP11B1CYP11B2ALDH1A1KDM4EMCL1
SCHEMBL25983810 0.77 KDM4E (0.52) ALDH1A1KDM4ENPSR1TDP1HPGD
SCHEMBL1514257 0.77 CYP11B1 (0.78) CYP11B1CYP11B2TRPV4
SCHEMBL1514536 0.77 FLT3 (0.59) CYP11B1CYP11B2ALDH1A1KDM4EMCL1
SCHEMBL30132416 0.77 CYP11B1 (0.78) CYP11B1CYP11B2TRPV4
SCHEMBL17540365 0.76 CYP11B1 (0.50) CYP11B1CYP11B2ALDH1A1KDM4EMCL1

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
CN-102449795-B Use of phthalocyanine compounds with aryl or hetaryl substituents in organic solar cells BASF SE 2015-06-10 CN disclosed