SCHEMBL11039779

SCHEMBL11039779

O=C(O)C(CS)N(CCO)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPA3 P15088 1/20 0.39
FOLH1 Q04609 1/20 0.39
KDM4E B2RXH2 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
MEN1 O00255 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MME P08473 1/20 0.33

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
SCHEMBL11042266 0.85 MME (0.39) CPA3FOLH1CYP2C19SMN1; SMN2MME
SCHEMBL11041200 0.84 MAPT (0.39) KDM4ENPSR1MEN1KMT2ASMN1; SMN2
SCHEMBL11038709 0.83 ESR1 (0.43) L3MBTL1HDAC1HDAC6MME
SCHEMBL11055428 0.81 MTNR1A (0.39) CPA3FOLH1MEN1CYP3A4CYP2C9
SCHEMBL11039209 0.81 HSD17B10 (0.46) CPA3FOLH1MEN1KMT2ASMN1; SMN2
SCHEMBL6307359 0.81 NPC1 (0.47) MME
SCHEMBL11041302 0.81 TSHR (0.46) CPA3FOLH1MEN1KMT2ASMN1; SMN2
SCHEMBL5819570 0.80 CPA3 (0.46) CPA3FOLH1MEN1KMT2ASMN1; SMN2
SCHEMBL5819566 0.80 CPA3 (0.46) CPA3FOLH1MEN1KMT2ASMN1; SMN2
SCHEMBL11044026 0.79 RAD52 (0.40) CPA3CYP3A4SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4430259-A Water-soluble disazo compounds suitable as fiber-reactive dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1984-02-07 US disclosed
US-4283196-A FIXING BY ACTION OF AN ALKALINE AGENT AMERICAN HOECHST CORPORATION (US) 1981-08-11 US disclosed
US-4271072-A FIBER-REACTIVE, FOR DYEING NATURAL AND SYNTHETIC POLYAMIDES AND CELULOSES AMERICAN HOECHST CORPORATION (US) 1981-06-02 US disclosed