SCHEMBL3126907

SCHEMBL3126907

N#CC(Cl)Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
LOXL2 Q9Y4K0 1/20 0.47
TSHR P16473 1/20 0.44
CYP2C19 P33261 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 1/20 0.44
IDO1 P14902 2/20 0.43
KCNJ1 P48048 2/20 0.42
KCNH2 Q12809 2/20 0.42
POLB P06746 2/20 0.42
ALDH1A1 P00352 1/20 0.42
DPP4 P27487 2/20 0.41
DPP7 Q9UHL4 2/20 0.41
DPP8 Q6V1X1 1/20 0.41
DPP9 Q86TI2 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
VCAM1 P19320 1/20 0.40

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
SCHEMBL4656476 0.82 LOXL2 (0.50) LMNALOXL2TSHRCYP2C19CYP1A2
SCHEMBL11333364 0.81 TSHR (0.57) LMNATSHRCYP2C19CYP1A2CYP2C9
SCHEMBL10866449 0.80 LMNA (0.55) LMNALOXL2TSHRCYP2C19CYP1A2
SCHEMBL28019035 0.79 LOXL2 (0.47) LMNALOXL2TSHRCYP2C19CYP1A2
SCHEMBL7103432 0.77 LMNA (0.56) LMNALOXL2TSHRCYP2C19CYP1A2
SCHEMBL11369488 0.77 LOXL2 (0.57) LMNALOXL2TSHRCYP2C19CYP1A2
SCHEMBL2325845 0.77 LMNA (0.53) LMNALOXL2TSHRCYP2C19CYP1A2
SCHEMBL11682445 0.76 TSHR (0.47) LMNATSHRCYP2C19CYP1A2CYP2C9
SCHEMBL11683459 0.76 VCAM1 (0.53) LMNAPOLBALDH1A1KDM4EMEN1
SCHEMBL11566530 0.76 VCAM1 (0.49) LMNACYP1A2POLBALDH1A1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2157088-A1 INDICYANINE DYES AND THE DERIVATIVES THEREOF FOR ANALYSING BIOLOGICAL MICROMOLECULES UCHREZHDENIE ROSSIISKOI AKADEMII NAUK INSTITUT MOLEKULYARNOI BIOLOGII IM. V.A. ENGELGARDTA RAN (IMB RAN) (RU) 2010-02-24 EP disclosed
WO-2008127139-A1 INDICYANINE DYES AND THE DERIVATIVES THEREOF FOR ANALYSING BIOLOGICAL MICROMOLECULES INSTITUT MOLEKULYARNOI BIOLOGII IM. V.A. ENGELDARDTA ROSSIISKOI AKADEMII NAUK (RU) 2008-10-23 WO disclosed
US-4010151-A Water insoluble mono azo and disazo dyes containing cinnamonitrile group PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1977-03-01 US disclosed
US-4008213-A WATER INSOLUBLE UGINE KUHLMANN (FR) 1977-02-15 US disclosed