SCHEMBL1387345

SCHEMBL1387345

CNCCNC(=O)CCO

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.57
ALDH1A1 P00352 3/20 0.46
CNR1 P21554 3/20 0.40
CASP2 P42575 1/20 0.40
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
DNM1 Q05193 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
FAAH O00519 2/20 0.37
SELP P16109 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
KCNK3 O14649 1/20 0.37
CNR2 P34972 1/20 0.37
BLM P54132 1/20 0.37
TRPV1 Q8NER1 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
SCHEMBL14002750 0.87 ALDH1A1 (0.48) NAAAALDH1A1CASP2TSHRDNM1
SCHEMBL13839061 0.85 FAAH (0.50) NAAAALDH1A1CASP2GAATSHR
SCHEMBL23571660 0.84 NAAA (0.42) NAAAALDH1A1CNR1CASP2GAA
SCHEMBL27317502 0.83 TSHR (0.47) NAAAALDH1A1CNR1CASP2TSHR
SCHEMBL1387344 0.83 ALDH1A1 (0.45) NAAAALDH1A1CNR1CASP2TSHR
SCHEMBL12583601 0.83 CASP2 (0.59) NAAAALDH1A1CASP2DNM1MEN1
SCHEMBL16281002 0.83 ALDH1A1 (0.45) NAAAALDH1A1CASP2GAATSHR
SCHEMBL5030896 0.83 PHF8 (0.54) NAAAALDH1A1KMT2A
SCHEMBL1387175 0.82
SCHEMBL11955667 0.82 NAAA (0.46) NAAAALDH1A1CNR1TSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0733045-B1 4,6-DIANILINO-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2001-08-16 EP claimed
US-5880130-A TREATMENT OF CELL-PROLIFERATION DISEASES ZENECA LIMITED (GB) 1999-03-09 US claimed
JP-H09506363-A 1997-06-24 JP claimed
EP-0733045-A1 4,6-DIANILINO-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TYROSINE KINASE INHIBITORS ZENECA LIMITED (GB) 1996-09-25 EP claimed
WO-1995015952-A1 4,6-DIANILINO-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TYROSINE KINASE INHIBITORS ZENECA LIMITED (GB) 1995-06-15 WO claimed
EP-0733045-B1 4,6-DIANILINO-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2001-08-16 EP disclosed
EP-0733045-A1 4,6-DIANILINO-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TYROSINE KINASE INHIBITORS ZENECA LIMITED (GB) 1996-09-25 EP disclosed
WO-1995015952-A1 4,6-DIANILINO-PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS TYROSINE KINASE INHIBITORS ZENECA LIMITED (GB) 1995-06-15 WO disclosed