SCHEMBL11841379

SCHEMBL11841379

CCC(N)n1nc(-c2ccccc2)c2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.57
▸ KDM4E B2RXH2 4/20 0.49
▸ HSD17B10 Q99714 3/20 0.46
▸ ALDH1A1 P00352 4/20 0.44
▸ HPGD P15428 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ MAPT P10636 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ TSHR P16473 2/20 0.42
▸ F2RL3 Q96RI0 1/20 0.38
▸ PDE4A P27815 1/20 0.37
▸ PDE4B Q07343 1/20 0.37
▸ PDE4C Q08493 1/20 0.37
▸ PDE4D Q08499 1/20 0.37
▸ PDE3B Q13370 1/20 0.37
▸ PDE3A Q14432 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ RORC P51449 1/20 0.37

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
SCHEMBL11845302 0.85 KDM4E (0.53) KMT2AKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL11832922 0.84 KDM4E (0.72) KMT2AKDM4EALDH1A1LMNAHTT
Hydrochloric Acid SCHEMBL11837543 0.83 KDM4E (0.70) KMT2AKDM4EALDH1A1LMNAHTT
SCHEMBL11834582 0.79 KMT2A (0.55) KMT2AKDM4EHSD17B10ALDH1A1HPGD
Hydrochloric Acid SCHEMBL11833084 0.78 KMT2A (0.53) KMT2AKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL11837486 0.77 KMT2A (0.58) KMT2AKDM4EHSD17B10ALDH1A1HPGD
Hydrochloric Acid SCHEMBL11835272 0.75 KMT2A (0.57) KMT2AKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL11846471 0.75 KMT2A (0.50) KMT2AKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL11841704 0.74 KMT2A (0.49) KMT2AKDM4EHSD17B10ALDH1A1HPGD
SCHEMBL11841868 0.74 KMT2A (0.52) KMT2AKDM4EHSD17B10ALDH1A1HPGD

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 2 patents. 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
US-3994890-A TRANQUILIZERS, ANTIDEPRESSANTS, ANTIINFLAMMATORY CHUGAI SEIYAKU KABUSHIKI KAISHA (JA) 1976-11-30 — — US disclosed
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