SCHEMBL27729314

SCHEMBL27729314

Cc1ccc(-n2ccnc2-c2cccc3ccccc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.46
HTR2A P28223 1/20 0.46
P2RX4 Q99571 2/20 0.44
KDM4E B2RXH2 2/20 0.43
MAPK9 P45984 1/20 0.43
MAPK10 P53779 1/20 0.43
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
ALDH1A1 P00352 3/20 0.38
NISCH Q9Y2I1 1/20 0.38
MAPT P10636 1/20 0.38
FLT3 P36888 1/20 0.38
CYP2A6 P11509 1/20 0.38
LMNA P02545 2/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
POLB P06746 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KDR P35968 1/20 0.37
GFER P55789 1/20 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
SCHEMBL19961723 0.89 HTR2C (0.46) HTR2CHTR2AP2RX4KDM4EMAPK9
SCHEMBL4866386 0.80 NPC1 (0.46) HTR2CHTR2AP2RX4KDM4ECYP11B1
SCHEMBL5486071 0.76 HTR2C (0.66) HTR2CHTR2AKDM4EALDH1A1NISCH
SCHEMBL24690220 0.76 MAPK9 (0.41) HTR2CHTR2AP2RX4KDM4EMAPK9
SCHEMBL26562756 0.74 KDR (0.55) P2RX4KDM4EMAPK9MAPK10ALDH1A1
SCHEMBL3399314 0.73 KMT2A (0.55) HTR2CHTR2AKDM4ECYP11B1CYP11B2
SCHEMBL19353774 0.71 CYP3A4 (0.50) MAPK9MAPK10ALDH1A1MAPTCYP2A6
SCHEMBL11091622 0.71 KDR (0.51) MAPK9MAPK10ALDH1A1CYP2A6GAA
SCHEMBL15316007 0.71 HTR2C (0.43) HTR2CHTR2AP2RX4KDM4EMAPK9
SCHEMBL5012577 0.70 FLT3 (0.44) KDM4ECYP11B2ALDH1A1MAPTFLT3

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
CN-101228000-B Water-soluble preflux and use thereof SHIKOKU CHEM 2010-06-09 CN disclosed
CN-101228000-A Water-soluble preflux and use thereof SHIKOKU CHEM (JP) 2008-07-23 CN disclosed