SCHEMBL7904733

SCHEMBL7904733

C=CCN(CC=C)c1nc(N)n(-c2nnc(-c3ccc(OCCCN(C)C)cc3)s2)n1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
KDM4E B2RXH2 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LSS P48449 3/20 0.37
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
HRH3 Q9Y5N1 6/20 0.35
TP53 P04637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ALDH1A1 P00352 1/20 0.34
CXCR1 P25024 1/20 0.34
PTPN1 P18031 1/20 0.34
DNM1 Q05193 1/20 0.34
AGER Q15109 1/20 0.33

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
SCHEMBL7903918 0.85 ATM (0.34) KDM4EHRH3ALDH1A1
SCHEMBL7896435 0.85 NR1H4 (0.34) RAB9ALMNAMAPTKDM4ESMN1; SMN2
SCHEMBL7905953 0.81 RAB9A (0.45) RAB9ALMNAMAPTKDM4ESMN1; SMN2
SCHEMBL7903787 0.80 HTR7 (0.37) KDM4ESMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL7908541 0.80 RAB9A (0.44) RAB9ALMNAMAPTKDM4ESMN1; SMN2
SCHEMBL7908470 0.77 HRH3 (0.44) RAB9ALMNAMAPTKDM4ESMN1; SMN2
SCHEMBL7903921 0.76 SMN1; SMN2 (0.37) KDM4ESMN1; SMN2
SCHEMBL7896538 0.76 RAB9A (0.43) RAB9ALMNAMAPTKDM4ESMN1; SMN2
SCHEMBL7908482 0.74 ALDH1A1 (0.32) LMNAKDM4EL3MBTL1DRD2DRD3
SCHEMBL7902642 0.73 HTR1B (0.36) KDM4EHRH3HSD17B10ALDH1A1

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-6191152-B1 CARDIOVASCULAR DISORDERS, NERVOUS SYSTEM DISORDERS EGIS GYÓGYSZERGYAR RT. (HU) 2001-02-20 US disclosed