SCHEMBL28832863

SCHEMBL28832863

CCNC=C(C)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.40
MTNR1A P48039 3/20 0.39
MTNR1B P49286 3/20 0.39
ATM Q13315 1/20 0.39
DEGS1 O15121 1/20 0.39
CES1 P23141 4/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CES2 O00748 3/20 0.38
LTB4R Q15722 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
TSHR P16473 1/20 0.35

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
SCHEMBL22810989 1.00 KDM1A (0.40) KDM1AMTNR1AMTNR1BATMDEGS1
SCHEMBL28522074 0.79 ADH1B (0.50) SMN1; SMN2MEN1KMT2AKDM4ECYP3A4
SCHEMBL2274705 0.79 ATM (0.36) MTNR1AMTNR1BATMCES1SMN1; SMN2
SCHEMBL10728602 0.79 NPSR1 (0.38) ATMCES1SMN1; SMN2MEN1KMT2A
SCHEMBL21398908 0.77 KAT6A (0.40) SMN1; SMN2MAPT
SCHEMBL20037284 0.77 KDM1A (0.42) KDM1AMTNR1AMTNR1BDEGS1CES1
SCHEMBL13770099 0.76 KDM1A (0.46) KDM1AMTNR1AMTNR1BATMDEGS1
SCHEMBL1193963 0.73 KDM1A (0.42) KDM1AMTNR1AMTNR1BATMCES1
SCHEMBL5028746 0.73 KDM1A (0.42) KDM1AMTNR1AMTNR1BATMCES1
SCHEMBL2490467 0.73 KDM1A (0.42) KDM1AMTNR1AMTNR1BATMCES1

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-105873959-A Aqueous primary dispersions, method for producing same, and use thereof 巴斯夫涂料有限公司 2016-08-17 CN disclosed