SCHEMBL11835472

SCHEMBL11835472

CC(N(C)C)n1nc(-c2ccccc2)c2cc(Cl)ccc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 6/20 0.62
▸ MAPT P10636 5/20 0.53
▸ LMNA P02545 2/20 0.53
▸ GPR35 Q9HC97 1/20 0.53
▸ KMT2A Q03164 4/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ TSHR P16473 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MAT2A P31153 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ NPSR1 Q6W5P4 3/20 0.38
▸ CASP1 P29466 2/20 0.38
▸ USP2 O75604 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ CASP7 P55210 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ POLB P06746 1/20 0.36

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
Hydrochloric Acid SCHEMBL11846087 0.99 KDM4E (0.61) KDM4EMAPTLMNAGPR35KMT2A
SCHEMBL11836348 0.86 KDM4E (0.65) KDM4EMAPTLMNAGPR35KMT2A
SCHEMBL11834520 0.85 KMT2A (0.46) KDM4EMAPTLMNAGPR35KMT2A
Hydrochloric Acid SCHEMBL11828807 0.85 KDM4E (0.64) KDM4EMAPTLMNAGPR35KMT2A
Hydrochloric Acid SCHEMBL11843962 0.84 KMT2A (0.45) KDM4EMAPTLMNAGPR35KMT2A
SCHEMBL11842018 0.84 KDM4E (0.69) KDM4EMAPTLMNAGPR35KMT2A
Hydrochloric Acid SCHEMBL11837379 0.83 KDM4E (0.67) KDM4EMAPTLMNAGPR35KMT2A
Hydrochloric Acid SCHEMBL11837405 0.82 KMT2A (0.61) KDM4EMAPTLMNAGPR35KMT2A
SCHEMBL11832922 0.78 KDM4E (0.72) KDM4EMAPTLMNAGPR35KMT2A
SCHEMBL11839505 0.78 KDM4E (0.58) KDM4EMAPTLMNAGPR35KMT2A

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-3994890-A TRANQUILIZERS, ANTIDEPRESSANTS, ANTIINFLAMMATORY CHUGAI SEIYAKU KABUSHIKI KAISHA (JA) 1976-11-30 — — US claimed
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