SCHEMBL9013068

SCHEMBL9013068

CNC(=O)C1C2C=CC(C2)C1C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
POLB P06746 3/20 0.41
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
GAA P10253 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
CASP6 P55212 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL2549326 0.83 ALDH1A1 (0.41) ALDH1A1POLBMEN1KMT2ATDP1
SCHEMBL9073184 0.83 ALDH1A1 (0.41) ALDH1A1POLBMEN1KMT2ATDP1
SCHEMBL251917 0.82 KDM4E (0.44) ALDH1A1POLBMEN1KMT2ATDP1
SCHEMBL18962205 0.82 ALDH1A1 (0.60) ALDH1A1POLBMEN1KMT2ATDP1
SCHEMBL5862329 0.82 ALDH1A1 (0.60) ALDH1A1POLBMEN1KMT2ATDP1
SCHEMBL24879875 0.81 ALDH1A1 (0.44) ALDH1A1POLBMEN1KMT2ATDP1
SCHEMBL3772810 0.81 ALDH1A1 (0.43) ALDH1A1POLBMEN1KMT2ATDP1
SCHEMBL3773135 0.81 ALDH1A1 (0.43) ALDH1A1POLBMEN1KMT2ATDP1
SCHEMBL28308589 0.79 ALDH1A1 (0.39) ALDH1A1POLBMEN1KMT2ATDP1
SCHEMBL13538929 0.78 ALDH1A1 (0.40) ALDH1A1POLBMEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0577002-B1 Poly(methacryl imides) with elevated heat distortion resistance BASF AG (DE) 1996-12-04 EP disclosed
US-5354814-A Molding materials; heat resistance BASF AKTIENGESELLSCHAFT (DE) 1994-10-11 US disclosed
EP-0577002-A1 Poly(methacryl imides) with elevated heat distortion resistance BASF Aktiengesellschaft (DE) 1994-01-05 EP disclosed