SCHEMBL27706751

SCHEMBL27706751

CC1c2ccccc2Nc2cccc(NCc3ccccc3)c21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 2/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
EGFR P00533 2/20 0.37
SRC P12931 2/20 0.37
ADRA2C P18825 1/20 0.37
GLA P06280 1/20 0.37
DDB1 Q16531 1/20 0.37
CRBN Q96SW2 1/20 0.37
BACE1 P56817 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
ALOX12 P18054 1/20 0.36
KMT2A Q03164 1/20 0.36
ABCB1 P08183 1/20 0.35
CREBBP Q92793 1/20 0.35
GRM2 Q14416 1/20 0.34

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
SCHEMBL28766037 0.85 KMT2A (0.35) HSD17B10KDM4EHPGDTSHREGFR
SCHEMBL79505 0.72 HTT (0.47) HTT
SCHEMBL28733042 0.71 HTR2C (0.42) DDB1CRBNMEN1ALDH1A1KMT2A
SCHEMBL31474673 0.69 HTR5A (0.48) TSHRMEN1MAPTALOX12KMT2A
SCHEMBL13366003 0.69 HTR5A (0.48) TSHRMEN1MAPTALOX12KMT2A
SCHEMBL5494475 0.67 HTR5A (0.36) KDM4ETSHREGFRALDH1A1MAPT
SCHEMBL30464743 0.67 HSD17B10 (0.71) HSD17B10KDM4EHPGDTSHRADRA2C
SCHEMBL4571036 0.67 HSD17B10 (0.71) HSD17B10KDM4EHPGDTSHRADRA2C
SCHEMBL5501013 0.67 HTR5A (0.36) DDB1CRBNMEN1ALDH1A1MAPT
SCHEMBL1080604 0.66 HSD17B10 (0.40) HSD17B10KDM4EHPGDTSHRMEN1

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-101142525-A Pattern formation material, pattern formation device, and pattern formation method FUJI FILM CORP (JP) 2008-03-12 CN disclosed
CN-101124516-A Pattern forming material, pattern forming apparatus, and pattern forming method FUJI FILM CORP (JP) 2008-02-13 CN disclosed