SCHEMBL27582724

SCHEMBL27582724

Cc1c(C(C)C(=O)C(C)c2cccc([N+](=O)[O-])c2C)cccc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.60
▸ TSHR P16473 4/20 0.56
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ GLA P06280 2/20 0.52
▸ ALDH1A1 P00352 4/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ POLB P06746 4/20 0.47
▸ CYP1A2 P05177 4/20 0.46
▸ CYP2C19 P33261 3/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ GPR35 Q9HC97 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.44
▸ NPC1 O15118 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
SCHEMBL27474823 0.86 ALDH1A1 (0.58) TDP1TSHRALDH1A1L3MBTL1POLB
SCHEMBL6676584 0.84 TDP1 (0.62) TDP1TSHRSMN1; SMN2GLAALDH1A1
SCHEMBL12767842 0.84 TDP1 (0.67) TDP1TSHRSMN1; SMN2GLAALDH1A1
SCHEMBL27585506 0.83 ALDH1A1 (0.45) TDP1TSHRSMN1; SMN2GLAALDH1A1
SCHEMBL27656357 0.83 ALDH1A1 (0.45) TDP1TSHRSMN1; SMN2GLAALDH1A1
SCHEMBL24440376 0.81 TDP1 (0.62) TDP1TSHRSMN1; SMN2GLAALDH1A1
SCHEMBL16950686 0.81 TDP1 (0.62) TDP1TSHRSMN1; SMN2GLAALDH1A1
SCHEMBL29238525 0.81 TDP1 (0.62) TDP1TSHRSMN1; SMN2GLAALDH1A1
SCHEMBL16971066 0.81 TDP1 (0.62) TDP1TSHRSMN1; SMN2GLAALDH1A1
SCHEMBL27705286 0.80 TDP1 (0.43) TDP1TSHRSMN1; SMN2GLAALDH1A1

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-1491216-A Novel alkylphenylimidazolidine derivatives for the treatment of urinary incontinence ���ָ��Ӣ��ķ�������Ϲ�˾ 2004-04-21 — — CN disclosed
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