SCHEMBL11239432

SCHEMBL11239432

CCCC(=O)CCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.56
▸ BCL9 O00512 1/20 0.54
▸ CTNNB1 P35222 1/20 0.54
▸ IAPP P10997 1/20 0.53
▸ CCR5 P51681 2/20 0.51
▸ ALDH1A1 P00352 3/20 0.50
▸ KCNH2 Q12809 3/20 0.48
▸ MAPT P10636 2/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ KCNJ1 P48048 2/20 0.46
▸ LOXL2 Q9Y4K0 1/20 0.46
▸ CYP2C19 P33261 1/20 0.45
▸ MAPK1 P28482 1/20 0.44

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
SCHEMBL7999122 0.91 TSHR (0.66) TSHRCCR5ALDH1A1KCNH2MAPT
SCHEMBL8041387 0.88 TSHR (0.58) TSHRBCL9CTNNB1IAPPCCR5
SCHEMBL16995172 0.88 ALDH1A1 (0.59) TSHRBCL9CTNNB1IAPPCCR5
SCHEMBL8934567 0.85 ALDH1A1 (0.58) TSHRBCL9CTNNB1ALDH1A1MAPT
SCHEMBL1536704 0.82 TSHR (0.54) TSHRCCR5ALDH1A1KCNH2MAPT
SCHEMBL1312170 0.81 KCNH2 (0.60) TSHRBCL9CTNNB1IAPPALDH1A1
SCHEMBL17986241 0.81 TSHR (0.58) TSHRCCR5ALDH1A1KCNH2MAPT
SCHEMBL8855273 0.81 TSHR (0.61) TSHRALDH1A1KCNH2MAPTMEN1
SCHEMBL10999840 0.80 MMP12 (0.58) TSHRCCR5ALDH1A1KCNH2MAPT
SCHEMBL670267 0.80 TSHR (0.64) TSHRALDH1A1KCNH2MAPTKCNJ1

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-4336269-A ANTIARRHYTHMIA ELI LILLY AND COMPANY (US) 1982-06-22 — — US disclosed
US-4277501-A ANTIARRHYTHMIA AGENTS ELI LILLY AND COMPANY (US) 1981-07-07 — — US disclosed
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