SCHEMBL2013744

SCHEMBL2013744

CN1[C@H]2C[C@H]1N(C(=O)c1n[nH]c3ccccc13)C2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.46
▸ YTHDC1 Q96MU7 1/20 0.46
▸ STAT3 P40763 1/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ ALDH1A1 P00352 3/20 0.45
▸ MAPT P10636 1/20 0.45
▸ EIF4A3 P38919 1/20 0.44
▸ CHRNA7 P36544 2/20 0.44
▸ HTR3A P46098 1/20 0.44
▸ CNR1 P21554 1/20 0.44
▸ CNR2 P34972 1/20 0.44
▸ RAB9A P51151 4/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ FLT3 P36888 2/20 0.43
▸ RBP4 P02753 1/20 0.43
▸ TP53 P04637 2/20 0.42
▸ HSD17B10 Q99714 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ KMT2A Q03164 1/20 0.42

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
SCHEMBL2105414 0.89 CHRNA7 (0.46) KDM4EYTHDC1STAT3HIF1AALDH1A1
SCHEMBL1176568 0.85 YTHDC1 (0.49) KDM4EYTHDC1STAT3HIF1AALDH1A1
SCHEMBL5038866 0.85 YTHDC1 (0.49) KDM4EYTHDC1STAT3HIF1AALDH1A1
SCHEMBL1175853 0.83 CHRNA7 (0.49) KDM4EYTHDC1STAT3HIF1AALDH1A1
Formic Acid SCHEMBL5563473 0.81 YTHDC1 (0.45) KDM4EYTHDC1STAT3HIF1AALDH1A1
Formic Acid SCHEMBL5562495 0.79 CHRNA7 (0.46) KDM4EYTHDC1STAT3HIF1AALDH1A1
SCHEMBL1175956 0.78 DYRK1A (0.41) —
SCHEMBL5042810 0.78 KDM4E (0.46) KDM4EYTHDC1STAT3HIF1AALDH1A1
SCHEMBL1176210 0.78 KDM4E (0.46) KDM4EYTHDC1STAT3HIF1AALDH1A1
SCHEMBL2087519 0.78 ALDH1A1 (0.52) KDM4EYTHDC1STAT3HIF1AALDH1A1

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-7964600-B2 Indoles, 1H-indazoles, 1,2-benzisoxazoles, and 1,2-benzisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2011-06-21 — — US disclosed
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