SCHEMBL11745898

SCHEMBL11745898

COc1cc(NC(C)=O)cc(N(CCO)CCO)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.45
▸ POLB P06746 1/20 0.45
▸ MTNR1A P48039 8/20 0.45
▸ MTNR1B P49286 8/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ DDR2 Q16832 1/20 0.42
▸ MEN1 O00255 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ L3MBTL1 Q9Y468 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
SCHEMBL11744514 0.90 MTNR1A (0.39) KMT2APOLBMTNR1AMTNR1BSMN1; SMN2
SCHEMBL11744508 0.80 KMT2A (0.41) KMT2APOLBMTNR1AMTNR1BSMN1; SMN2
SCHEMBL31589683 0.79 ALDH1A1 (0.46) KMT2APOLBMTNR1AMTNR1BALDH1A1
SCHEMBL7641677 0.78 MTNR1B (0.39) KMT2AMTNR1AMTNR1BSMN1; SMN2LMNA
SCHEMBL171686 0.78 KMT2A (0.63) KMT2APOLBMTNR1AMTNR1BSMN1; SMN2
SCHEMBL7643415 0.75 SMN1; SMN2 (0.38) KMT2APOLBMTNR1AMTNR1BSMN1; SMN2
SCHEMBL29717041 0.75 ALDH1A1 (0.51) KMT2APOLBSMN1; SMN2MEN1ALDH1A1
SCHEMBL5315584 0.75 ALDH1A1 (0.51) KMT2APOLBSMN1; SMN2MEN1ALDH1A1
SCHEMBL7641851 0.73 TSPO (0.38) KMT2APOLBMTNR1AMTNR1BSMN1; SMN2
SCHEMBL7636026 0.72 ALDH1A1 (0.36) MTNR1AMTNR1BALDH1A1CYP3A4

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
US-4041025-A FOR HYDROPHOBIC FIBERS SUCH AS POLYESTERS, YELLOW TO BLUE-GREEN SHADES BASF AKTIENGESELLSCHAFT (DT) 1977-08-09 — — US disclosed
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