SCHEMBL17259072

SCHEMBL17259072

C=Cc1ccnc(CCO)c1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TRPA1 O75762 1/20 0.30
SORD Q00796 1/20 0.30

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
SCHEMBL2622773 0.85 RECQL (0.34) TSHRALDH1A1TP53TDP1TRPA1
SCHEMBL9764334 0.81 KDM4E (0.49) KDM4ELMNACYP3A4TSHRALDH1A1
SCHEMBL9764204 0.79 LMNA (0.39) KDM4ELMNACYP3A4TSHRTP53
SCHEMBL321696 0.77 CYP1A2 (0.44) KDM4ELMNACYP3A4TSHRALDH1A1
SCHEMBL324742 0.77 ALDH1A1 (0.33) TSHRALDH1A1TP53TDP1
SCHEMBL3696387 0.76 KCNH2 (0.43) KDM4ELMNACYP3A4TSHRTDP1
SCHEMBL28167678 0.76 KCNH2 (0.43) KDM4ELMNACYP3A4TSHRTDP1
SCHEMBL28290080 0.76 KCNH2 (0.43) KDM4ELMNACYP3A4TSHRTDP1
SCHEMBL25313808 0.76 TDP1 (0.34) LMNATDP1
Bromide SCHEMBL28143036 0.76 ALDH1A1 (0.32) ALDH1A1TP53TDP1

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
CN-112526089-A Rapid alkylation method for analyzing N-terminal cysteine sequence of biotechnological drug 中国人民解放军军事科学院军事医学研究院 2021-03-19 CN disclosed
US-20170240439-A1 Ion Exchange Membranes And Methods Of Making The Same EVOQUA WATER TECHNOLOGIES LLC (US) 2017-08-24 US disclosed
US-9540261-B2 Coated ion exchange membranes EVOQUA WATER TECHNOLOGIES LLC 2017-01-10 US disclosed
US-20150329386-A1 Coated Ion Exchange Membranes EVOQUA WATER TECHNOLOGIES LLC 2015-11-19 US disclosed