SCHEMBL16174757

SCHEMBL16174757

C=Cc1ccc(-c2cccc(N)c2-c2ccc(C=C)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
DAPK3 O43293 1/20 0.41
JAK2 O60674 1/20 0.41
ABL1 P00519 1/20 0.41
NTRK1 P04629 1/20 0.41
FYN P06241 1/20 0.41
CSF1R P07333 1/20 0.41
RET P07949 1/20 0.41
MET P08581 1/20 0.41
PDGFRB P09619 1/20 0.41
FGFR1 P11362 1/20 0.41
FLT3 P36888 1/20 0.41
MAPK8 P45983 1/20 0.41
GSK3B P49841 1/20 0.41
CDK9 P50750 1/20 0.41
RPS6KA3 P51812 1/20 0.41
LIMK1 P53667 1/20 0.41
MAP2K1 Q02750 1/20 0.41
NTRK3 Q16288 1/20 0.41
MAPK14 Q16539 1/20 0.41

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
SCHEMBL16180732 0.88 ALDH1A1 (0.50) ALDH1A1DAPK3JAK2ABL1NTRK1
SCHEMBL28466430 0.85 ALDH1A1 (0.42) ALDH1A1DAPK3JAK2ABL1NTRK1
SCHEMBL5843450 0.84 TP53 (0.46) ALDH1A1DAPK3JAK2ABL1NTRK1
SCHEMBL1242872 0.83 DRD1 (0.44) ALDH1A1HSD17B10ADORA2APTPRCKDM4E
SCHEMBL28284656 0.82 ALDH1A1 (0.50) ALDH1A1DAPK3JAK2ABL1NTRK1
SCHEMBL17747939 0.81 ALDH1A1 (0.42) ALDH1A1DAPK3JAK2ABL1NTRK1
SCHEMBL138249 0.79 ALDH1A1 (0.44) ALDH1A1FLT3HSD17B10TSHRADORA2A
SCHEMBL15407028 0.79 AKR1B1 (0.38) ALDH1A1HSD17B10TSHRADORA2APTPRC
SCHEMBL648324 0.78 ALDH1A1 (0.39) ALDH1A1DAPK3JAK2ABL1NTRK1
Ethylene SCHEMBL28845290 0.78 ALDH1A1 (0.60) ALDH1A1CSF1RFGFR1MAPK8LIMK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2792699-B1 CURED PRODUCT AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING SAME NIPPON STEEL CHEMICAL & MAT CO LTD (JP) 2021-04-07 EP disclosed
US-9614172-B2 Curable composition, cured product, and organic electroluminescence element using same NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) 2017-04-04 US disclosed
US-20140326982-A1 CURABLE COMPOSITION, CURED PRODUCT, AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING SAME NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2014-11-06 US disclosed
EP-2792699-A1 CURABLE COMPOSITION, CURED PRODUCT, AND ORGANIC ELECTROLUMINESCENCE ELEMENT USING SAME Nippon Steel & Sumikin Chemical Co., Ltd. (JP) 2014-10-22 EP disclosed