SCHEMBL21320132

SCHEMBL21320132

CNc1c(C=O)ccc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.42
POLB P06746 2/20 0.41
PTPN1 P18031 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 4/20 0.39
TDP1 Q9NUW8 3/20 0.39
HSD17B10 Q99714 2/20 0.39
TSHR P16473 2/20 0.39
CYP2A6 P11509 1/20 0.39
CYP1A2 P05177 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
G6PD P11413 1/20 0.38
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.38
BLM P54132 1/20 0.38
GAA P10253 2/20 0.38
PGR P06401 1/20 0.38

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
SCHEMBL16381880 0.81 ERN1 (0.46) ERN1POLBPTPN1MEN1KMT2A
SCHEMBL2892422 0.80 ABCC9 (0.55) ERN1POLBMEN1KMT2AALDH1A1
SCHEMBL5084950 0.79 KDM1A (0.50) ERN1POLBPTPN1MEN1KMT2A
SCHEMBL28037608 0.77 EGFR (0.39) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL31536849 0.77 KDM1A (0.54) POLBALDH1A1MAPTLMNAGAA
SCHEMBL7539767 0.76 GAA (0.53) ERN1POLBPTPN1MEN1KMT2A
SCHEMBL15427702 0.76 KCNJ11 (0.42) ERN1MEN1KMT2AALDH1A1MAPT
SCHEMBL6171290 0.75 MAPT (0.38) ERN1POLBPTPN1MEN1KMT2A
SCHEMBL2049662 0.75 TSHR (0.54) ERN1POLBPTPN1MEN1KMT2A
SCHEMBL29951280 0.75 TSHR (0.54) ERN1POLBPTPN1MEN1KMT2A

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
EP-2569434-B1 COMPOSITIONS AND METHODS FOR TREATING LEUKEMIA AND RELATED DISORDERS DANA FARBER CANCER INST INC (US) 2019-09-04 EP disclosed