SCHEMBL11834582

SCHEMBL11834582

CCC(N(C)C)n1nc(-c2ccccc2)c2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.55
▸ KDM4E B2RXH2 3/20 0.47
▸ HSD17B10 Q99714 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ MAPT P10636 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ TSHR P16473 2/20 0.40
▸ F2RL3 Q96RI0 1/20 0.36
▸ PDE4A P27815 1/20 0.36
▸ PDE4B Q07343 1/20 0.36
▸ PDE4C Q08493 1/20 0.36
▸ PDE4D Q08499 1/20 0.36
▸ PDE3B Q13370 1/20 0.36
▸ PDE3A Q14432 1/20 0.36
▸ MAPK1 P28482 1/20 0.35
▸ RORC P51449 1/20 0.35

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 SCHEMBL11833084 0.99 KMT2A (0.53) KMT2AKDM4EHSD17B10SMN1; SMN2ALDH1A1
SCHEMBL11838053 0.85 KDM4E (0.51) KMT2AKDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL11834715 0.84 KDM4E (0.50) KMT2AKDM4ESMN1; SMN2LMNAMAPT
SCHEMBL11842018 0.84 KDM4E (0.69) KMT2AKDM4ESMN1; SMN2LMNAMAPT
Hydrochloric Acid SCHEMBL11837379 0.83 KDM4E (0.67) KMT2AKDM4ESMN1; SMN2LMNAMAPT
SCHEMBL11669095 0.81 KDM4E (0.56) KMT2AKDM4ESMN1; SMN2ALDH1A1LMNA
Oxalic Acid SCHEMBL11843237 0.81 KDM4E (0.55) KMT2AKDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL11841379 0.79 KMT2A (0.57) KMT2AKDM4EHSD17B10SMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL11837405 0.79 KMT2A (0.61) KMT2AKDM4EHSD17B10SMN1; SMN2ALDH1A1
SCHEMBL11837486 0.77 KMT2A (0.58) KMT2AKDM4EHSD17B10SMN1; SMN2ALDH1A1

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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