SCHEMBL8880780

SCHEMBL8880780

O=C(CCN1CCN(n2c(=O)ccc3ccccc32)CC1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.55
▸ ALDH1A1 P00352 5/20 0.55
▸ GFER P55789 1/20 0.53
▸ MAPT P10636 2/20 0.52
▸ HTR1A P08908 7/20 0.50
▸ SLC6A4 P31645 1/20 0.49
▸ SLC6A3 Q01959 1/20 0.49
▸ SIGMAR1 Q99720 1/20 0.49

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
SCHEMBL16026463 0.79 KMT2A (0.83) KMT2AALDH1A1GFERMAPTHTR1A
Hydrochloric Acid SCHEMBL7934846 0.78 KMT2A (0.83) KMT2AALDH1A1GFERMAPTHTR1A
SCHEMBL3893679 0.73 KMT2A (0.73) KMT2AALDH1A1GFERMAPTHTR1A
SCHEMBL2725965 0.73 KMT2A (0.90) KMT2AALDH1A1GFERMAPTHTR1A
SCHEMBL10507206 0.73 ALDH1A1 (0.96) KMT2AALDH1A1GFERMAPTHTR1A
Hydrochloric Acid SCHEMBL7932173 0.72 KMT2A (0.73) KMT2AALDH1A1GFERMAPTHTR1A
SCHEMBL17549676 0.72 KMT2A (0.71) KMT2AALDH1A1GFERMAPTHTR1A
SCHEMBL17549664 0.72 KMT2A (0.71) KMT2AALDH1A1GFERMAPTHTR1A
SCHEMBL5356971 0.72 ALDH1A1 (1.00) KMT2AALDH1A1GFERMAPTHTR1A
Hydrochloric Acid SCHEMBL10670221 0.72 ALDH1A1 (0.97) KMT2AALDH1A1GFERMAPTHTR1A

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-5691341-A ANTILEUKEMIA AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-11-25 — — US disclosed
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