SCHEMBL9775939

SCHEMBL9775939

COc1ccc(N2CCN(c3ccc([N+](=O)[O-])nc3)CC2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 1.00
SMN1; SMN2 Q16637 3/20 0.67
POLB P06746 1/20 0.66
RAB9A P51151 4/20 0.54
LMNA P02545 1/20 0.52
TSHR P16473 1/20 0.52
KMT2A Q03164 1/20 0.51
GFER P55789 1/20 0.49
CHRNB2 P17787 2/20 0.49
CHRNB4 P30926 2/20 0.49
CHRNA3 P32297 2/20 0.49
CHRNA4 P43681 2/20 0.49
NPC1 O15118 2/20 0.47
ALDH1A1 P00352 1/20 0.47
DHFR P00374 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL521907 0.82 MAPT (0.72) MAPTSMN1; SMN2POLBRAB9ALMNA
SCHEMBL29435521 0.81 MAPT (0.97) MAPTSMN1; SMN2POLBRAB9ALMNA
SCHEMBL15141576 0.81 MAPT (0.97) MAPTSMN1; SMN2POLBRAB9ALMNA
SCHEMBL3539759 0.81 MAPT (0.90) MAPTSMN1; SMN2POLBRAB9ALMNA
SCHEMBL29437404 0.80 POLB (1.00) MAPTSMN1; SMN2POLBRAB9ACHRNB2
SCHEMBL521371 0.80 POLB (1.00) MAPTSMN1; SMN2POLBRAB9ACHRNB2
SCHEMBL17631619 0.80 MAPT (0.66) MAPTSMN1; SMN2POLBRAB9ACHRNB2
SCHEMBL30513226 0.80 MAPT (0.66) MAPTSMN1; SMN2POLBRAB9ACHRNB2
SCHEMBL29437410 0.79 MAPT (1.00) MAPTSMN1; SMN2POLBRAB9ALMNA
SCHEMBL2722856 0.79 MAPT (1.00) MAPTSMN1; SMN2POLBRAB9ALMNA

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-5023258-A Triazole antifungal agents PFIZER INC. (US) 1991-06-11 US disclosed
EP-0352946-A1 Triazole antifungal agents Pfizer Limited (GB) 1990-01-31 EP disclosed