SCHEMBL14524430

SCHEMBL14524430

CC(=O)N1CC2CC(C1)c1cc([N+](=O)[O-])c([N+](=O)[O-])cc12

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
MAPT P10636 5/20 0.42
GPR174 Q9BXC1 2/20 0.41
CHRNA3 P32297 2/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
CHRNB3 Q05901 1/20 0.37
CHRNA6 Q15825 1/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
HPGD P15428 1/20 0.36
POLB P06746 1/20 0.35
CHRNB4 P30926 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
SCHEMBL25951586 0.82 CHRNB4 (0.57) ALDH1A1MAPTCHRNA3HPGDPOLB
SCHEMBL25951588 0.82 CREBBP (0.40) ALDH1A1MAPTGPR174CHRNA3MEN1
SCHEMBL1903629 0.81 CYP2C9 (0.35) ALDH1A1MAPTGPR174CHRNA3MEN1
SCHEMBL14524422 0.80 MAPT (0.42) ALDH1A1MAPTCHRNA3MEN1KMT2A
SCHEMBL8018390 0.77 CHRNB4 (0.38) ALDH1A1MAPTCHRNA3HPGDPOLB
SCHEMBL6824133 0.75 KDM4E (0.45) ALDH1A1MAPTCHRNA3CHRNB2CHRNA4
SCHEMBL14364782 0.74 CHRNB4 (0.41) ALDH1A1MAPTCHRNA3MEN1KMT2A
SCHEMBL14003853 0.74 CHRNB4 (0.41) ALDH1A1MAPTCHRNA3MEN1KMT2A
SCHEMBL29761227 0.74 CHRNB4 (0.36) ALDH1A1MAPTCHRNA3HPGDPOLB
SCHEMBL25735077 0.74 CHRNB4 (0.36) ALDH1A1MAPTCHRNA3HPGDPOLB

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-7205300-B2 Aryl fused azapolycyclic compounds PFIZER INC (US) 2007-04-17 US disclosed
US-7205300-B2 Aryl fused azapolycyclic compounds PFIZER INC (US) 2007-04-17 US disclosed