SCHEMBL7834682

SCHEMBL7834682

CC(=O)n1cc(C=O)c2ccc([N+](=O)[O-])cc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
MEN1 O00255 3/20 0.49
POLB P06746 1/20 0.49
ERN1 O75460 1/20 0.47
MAPT P10636 5/20 0.45
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
F2 P00734 1/20 0.40
PLAU P00749 1/20 0.40
ELANE P08246 1/20 0.40
CTRB1 P17538 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
HKDC1 Q2TB90 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SNCA P37840 2/20 0.40
PTPN1 P18031 1/20 0.39
CREBBP Q92793 1/20 0.39

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
SCHEMBL6764463 0.89 KMT2A (0.49) KMT2AMEN1POLBERN1MAPT
SCHEMBL3353614 0.80 ALDH1A1 (0.56) KMT2AMEN1ERN1MAPTALDH1A1
SCHEMBL3352477 0.74 ALDH1A1 (0.52) KMT2AMEN1POLBERN1MAPT
SCHEMBL23551238 0.74 ALDH1A1 (0.45) KMT2AMEN1ERN1MAPTALDH1A1
SCHEMBL6217117 0.74 CREBBP (0.46) KMT2AMEN1POLBERN1MAPT
SCHEMBL870631 0.73 KMT2A (0.59) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL379545 0.71 ALDH1A1 (0.59) KMT2AMEN1ERN1MAPTALDH1A1
SCHEMBL19911393 0.70 FGFR1 (0.55) KMT2AMEN1MAPTALDH1A1SMN1; SMN2
SCHEMBL188160 0.70 NPC1 (0.51) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL3355435 0.70 ALDH1A1 (0.42) KMT2AMEN1ERN1MAPTALDH1A1

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-0680950-B1 PROPENONE DERIVATIVES KYOWA HAKKO KOGYO KK (JP) 2001-05-23 EP disclosed
US-5952355-A 1-ETHER-SUBSTITUTED PHENYL-3-INDOL-3-YL-2-PROPEN-1-ONE DERIVATIVES; ANTITUMOR AND -CARCINOGENIC AGENTS; IMMUNOSUPPRESSANTS; AUTOIMMUNE DISEASES; SIDE EFFECT REDUCTION KYOWA HAKKO KOGYO CO., LTD. (JP) 1999-09-14 US disclosed
EP-0680950-A1 PROPENONE DERIVATIVE KYOWA HAKKO KOGYO CO., LTD. (JP) 1995-11-08 EP disclosed