SCHEMBL11846471

SCHEMBL11846471

CCC(N1CCCCC1)n1nc(-c2ccccc2)c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.50
▸ KDM4E B2RXH2 5/20 0.44
▸ HTR4 Q13639 4/20 0.41
▸ HSD17B10 Q99714 2/20 0.40
▸ ALDH1A1 P00352 4/20 0.39
▸ LMNA P02545 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ L3MBTL1 Q9Y468 4/20 0.39
▸ MAPT P10636 2/20 0.39
▸ TSHR P16473 1/20 0.37
▸ TACR2 P21452 1/20 0.36
▸ TACR3 P29371 1/20 0.36
▸ MEN1 O00255 2/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34

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 SCHEMBL11834385 0.99 KMT2A (0.49) KMT2AKDM4EHTR4HSD17B10ALDH1A1
SCHEMBL11830991 0.87 KDM4E (0.47) KMT2AKDM4EALDH1A1LMNAL3MBTL1
Hydrochloric Acid SCHEMBL11834681 0.86 KDM4E (0.47) KMT2AKDM4EALDH1A1LMNAL3MBTL1
SCHEMBL11841868 0.76 KMT2A (0.52) KMT2AKDM4EHSD17B10ALDH1A1LMNA
SCHEMBL11830375 0.76 KDM4E (0.46) KMT2AKDM4EHSD17B10ALDH1A1LMNA
SCHEMBL11841379 0.75 KMT2A (0.57) KMT2AKDM4EHSD17B10ALDH1A1LMNA
SCHEMBL11837546 0.75 KDM4E (0.61) KMT2AKDM4EHSD17B10ALDH1A1LMNA
Hydrochloric Acid SCHEMBL11837862 0.75 KDM4E (0.45) KMT2AKDM4EHSD17B10ALDH1A1LMNA
SCHEMBL11834582 0.73 KMT2A (0.55) KMT2AKDM4EHSD17B10ALDH1A1LMNA
Hydrochloric Acid SCHEMBL11833084 0.72 KMT2A (0.53) KMT2AKDM4EHSD17B10ALDH1A1LMNA

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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