SCHEMBL11111820

SCHEMBL11111820

[CH]C=CN(C(C)=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.50
ALDH1A1 P00352 8/20 0.50
MEN1 O00255 7/20 0.50
MAPT P10636 5/20 0.50
RECQL P46063 3/20 0.50
POLB P06746 3/20 0.50
KDM4E B2RXH2 2/20 0.50
MAPK1 P28482 2/20 0.50
BLM P54132 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MITF O75030 1/20 0.50
HPGD P15428 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX12 P18054 1/20 0.42
CYP2C19 P33261 1/20 0.42
CTNNB1 P35222 1/20 0.42
LMNA P02545 3/20 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
SCHEMBL13144272 0.82 KMT2A (0.48) KMT2AALDH1A1MEN1MAPTRECQL
SCHEMBL11057810 0.81 KMT2A (0.51) KMT2AALDH1A1MEN1MAPTRECQL
SCHEMBL7999599 0.80 KMT2A (0.42) KMT2AALDH1A1MEN1MAPTRECQL
SCHEMBL13079880 0.78 KMT2A (0.51) KMT2AALDH1A1MEN1MAPTRECQL
SCHEMBL3248552 0.78 ALDH1A1 (0.43) KMT2AALDH1A1MEN1MAPTRECQL
SCHEMBL273919 0.76 KMT2A (0.46) KMT2AALDH1A1MEN1MAPTRECQL
SCHEMBL28731129 0.76 KMT2A (0.42) KMT2AALDH1A1MEN1MAPTRECQL
SCHEMBL3244381 0.76 KMT2A (0.46) KMT2AALDH1A1MEN1MAPTRECQL
SCHEMBL12597202 0.73 KMT2A (0.47) KMT2AALDH1A1MEN1MAPTRECQL
SCHEMBL10972192 0.72 KMT2A (0.40) KMT2AALDH1A1MEN1MAPTRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4476208-A AND PYRYLIUM, THIOPYRYLIUM, BENZOPYRYLIUM OR BENZOTHIOPYRYLIUM RESIDUES FUJI PHOTO FILM CO., LTD. (JP) 1984-10-09 US disclosed