SCHEMBL8563075

SCHEMBL8563075

O=[N+]([O-])c1ccc(Sc2ccnc3ccccc23)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.52
LMNA P02545 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
ALDH1A1 P00352 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HIF1A Q16665 1/20 0.48
HSD17B10 Q99714 1/20 0.48
DHFR P00374 1/20 0.48
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
POLB P06746 1/20 0.44
PDE7A Q13946 2/20 0.43
HTT P42858 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
KDM4E B2RXH2 2/20 0.43
GLA P06280 1/20 0.43

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
SCHEMBL27306674 0.77 NCF1 (0.46) MAPTDHFRRAB9A
SCHEMBL4371190 0.77 MEN1 (0.43) LMNASMN1; SMN2DHFRMEN1KMT2A
SCHEMBL7488303 0.77 KDM1A (0.54) MAPTLMNASMN1; SMN2CYP1A2CYP3A4
SCHEMBL8564485 0.76 LMNA (0.61) MAPTLMNASMN1; SMN2ALDH1A1DHFR
SCHEMBL2211171 0.75 MAPT (0.47) MAPTLMNASMN1; SMN2ALDH1A1CYP3A4
SCHEMBL18788857 0.75 ALDH1A1 (0.51) MAPTLMNASMN1; SMN2ALDH1A1CYP1A2
SCHEMBL13239525 0.74 HPGD (0.53) MAPTLMNASMN1; SMN2ALDH1A1MEN1
SCHEMBL13265685 0.74 MEN1 (0.63) MAPTLMNASMN1; SMN2ALDH1A1MEN1
SCHEMBL8560845 0.74 NCF1 (0.42) MAPTSMN1; SMN2ALDH1A1CYP1A2CYP2C9
SCHEMBL12410457 0.74 POLB (0.44) MAPTLMNASMN1; SMN2ALDH1A1CYP1A2

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-5814646-A TREATING THE PROGRESSION OF ALZHEIMER'S DISEASE, BRAIN DISORDERS ELI LILLY AND COMPANY (US) 1998-09-29 US disclosed
US-5624937-A TREATMENT OF ALZHEIMER'S DISEASE ELI LILLY AND COMPANY (US) 1997-04-29 US disclosed