SCHEMBL4598242

SCHEMBL4598242

C=CCN1C(=O)c2cccc3c(N(C)CCO)ccc(c23)C1=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 12/20 0.61
▸ KMT2A Q03164 12/20 0.61
▸ ALDH1A1 P00352 7/20 0.61
▸ USP2 O75604 5/20 0.61
▸ MAPT P10636 5/20 0.61
▸ CASP1 P29466 2/20 0.61
▸ CASP7 P55210 2/20 0.61
▸ HBB P68871 2/20 0.61
▸ HSD17B10 Q99714 2/20 0.61
▸ CRHBP P24387 2/20 0.61
▸ CRHR2 Q13324 2/20 0.61
▸ GAA P10253 1/20 0.61
▸ BRCA1 P38398 1/20 0.61
▸ KDM4E B2RXH2 3/20 0.60
▸ KEAP1 Q14145 2/20 0.60
▸ NFE2L2 Q16236 2/20 0.60
▸ TP53 P04637 1/20 0.60
▸ HPGD P15428 1/20 0.60
▸ HTT P42858 1/20 0.60
▸ POLB P06746 5/20 0.57

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
SCHEMBL32685249 0.85 ALDH1A1 (0.65) MEN1KMT2AALDH1A1USP2MAPT
SCHEMBL1106641 0.80 KMT2A (0.65) MEN1KMT2AALDH1A1USP2MAPT
SCHEMBL24270292 0.76 MEN1 (0.57) MEN1KMT2AALDH1A1USP2MAPT
SCHEMBL4597994 0.74 ALDH1A1 (0.60) MEN1KMT2AALDH1A1USP2MAPT
SCHEMBL3503912 0.74 MEN1 (0.69) MEN1KMT2AALDH1A1USP2MAPT
SCHEMBL28791870 0.74 POLB (0.56) MEN1KMT2AALDH1A1MAPTCRHBP
SCHEMBL11042478 0.73 ALDH1A1 (0.70) MEN1KMT2AALDH1A1USP2MAPT
SCHEMBL1001022 0.73 ALDH1A1 (0.70) MEN1KMT2AALDH1A1USP2MAPT
SCHEMBL4596137 0.73 ALDH1A1 (1.00) MEN1KMT2AALDH1A1MAPTCRHBP
SCHEMBL22717007 0.73 MEN1 (0.69) MEN1KMT2AALDH1A1USP2MAPT

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-1878756-A1 Labeled tackifiers National Starch and Chemical Investment Holding Corporation (US) 2008-01-16 — — EP disclosed
US-20080009573-A1 Labeled tackifiers NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORP. 2008-01-10 — — US disclosed
US-20080009573-A1 Labeled tackifiers NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORP. 2008-01-10 — — US disclosed
US-20080009573-A1 Labeled tackifiers NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORP. 2008-01-10 — — US disclosed
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