SCHEMBL11257686

SCHEMBL11257686

CC1CCCN(CC(=O)Nc2nc3cc4nc(N)sc4cc3s2)C1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ ALDH1A1 P00352 5/20 0.48
▸ PIK3CA P42336 1/20 0.48
▸ CLK1 P49759 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ POLB P06746 1/20 0.43
▸ KMT2A Q03164 1/20 0.43

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
Water SCHEMBL11255627 0.99 TSHR (0.48) TSHRKDM4EL3MBTL1ALDH1A1PIK3CA
SCHEMBL11258511 0.94 L3MBTL1 (0.53) TSHRKDM4EL3MBTL1ALDH1A1PIK3CA
SCHEMBL11256242 0.88 CLK1 (0.52) ALDH1A1PIK3CACLK1HTTSMN1; SMN2
SCHEMBL11265472 0.81 CLK1 (0.52) TSHRKDM4EALDH1A1CLK1HTT
SCHEMBL11256985 0.81 CLK1 (0.57) ALDH1A1CLK1HTTSMN1; SMN2POLB
SCHEMBL11265331 0.79 KDM4E (0.62) TSHRKDM4EALDH1A1PIK3CACLK1
SCHEMBL11262482 0.78 KDM4E (0.64) TSHRKDM4EALDH1A1PIK3CACLK1
SCHEMBL11265935 0.78 KDM4E (0.64) TSHRKDM4EALDH1A1PIK3CACLK1
SCHEMBL11266555 0.78 ALDH1A1 (0.48) TSHRKDM4EL3MBTL1ALDH1A1PIK3CA
Hydrochloric Acid SCHEMBL11254026 0.77 KDM4E (0.63) TSHRKDM4EALDH1A1PIK3CACLK1

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-4344946-A ANTIARTHRITICS, ANTIRHEUMATICS BOEHRINGER INGELHEIM GMBH (DE) 1982-08-17 — — US disclosed
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