SCHEMBL29274262

SCHEMBL29274262

COC(=O)c1ccc(-c2c3ccccc3nc3ccccc23)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.63
SMN1; SMN2 Q16637 4/20 0.61
PDE5A O76074 1/20 0.58
ABCC1 P33527 1/20 0.58
ABCG2 Q9UNQ0 1/20 0.58
MAPT P10636 4/20 0.56
TP53 P04637 2/20 0.56
ALDH1A1 P00352 5/20 0.56
KDM4E B2RXH2 4/20 0.56
HPGD P15428 4/20 0.56
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
HSD17B10 Q99714 1/20 0.56
LMNA P02545 1/20 0.56
PKM P14618 1/20 0.56
NFKB1 P19838 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
TSHR P16473 1/20 0.55
POLB P06746 1/20 0.54

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
SCHEMBL29464062 0.87 TSHR (0.61) TNKSSMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL24159350 0.85 TNKS (0.56) TNKSSMN1; SMN2PDE5AABCC1ABCG2
SCHEMBL3343178 0.82 MAPT (0.58) SMN1; SMN2MAPTTP53ALDH1A1KDM4E
SCHEMBL29488288 0.82 MAPT (0.58) SMN1; SMN2MAPTTP53ALDH1A1KDM4E
SCHEMBL28601450 0.82 ATM (0.57) SMN1; SMN2ABCC1ABCG2MAPTALDH1A1
SCHEMBL8018992 0.79 ALDH1A1 (0.60) TNKSSMN1; SMN2PDE5AABCC1ABCG2
SCHEMBL4006005 0.77 DHODH (0.70) SMN1; SMN2MAPTTP53ALDH1A1KDM4E
SCHEMBL1105491 0.77 TSHR (0.75) SMN1; SMN2MAPTALDH1A1KDM4EHPGD
SCHEMBL24515181 0.77 CA1 (0.64) SMN1; SMN2MAPTALDH1A1KDM4EHPGD
SCHEMBL5444926 0.76 PDE7A (0.47) TNKSSMN1; SMN2PDE5AABCC1ABCG2

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
CN-118239888-A Modularized synthesis method and application of acridine compound 厦门大学 2024-06-25 CN disclosed