SCHEMBL11699661

SCHEMBL11699661

CCONc1ccccc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.45
▸ MAPT P10636 5/20 0.42
▸ GAA P10253 4/20 0.42
▸ KDM4E B2RXH2 4/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ TDP1 Q9NUW8 3/20 0.41
▸ THRB P10828 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ MMP14 P50281 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ HSD17B10 Q99714 3/20 0.39
▸ ALOX15 P16050 2/20 0.39

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
SCHEMBL27841531 0.84 CYP1A2 (0.43) ALDH1A1MAPTGAAKDM4EMEN1
SCHEMBL26803231 0.81 MAPT (0.43) ALDH1A1MAPTGAAKDM4EMEN1
SCHEMBL19201787 0.78 TLR8 (0.38) ALDH1A1MAPTGAAKDM4EMEN1
SCHEMBL16742379 0.78 ALDH1A1 (0.48) ALDH1A1MAPTGAAKDM4EMEN1
SCHEMBL27613223 0.78 CDC25B (0.39) ALDH1A1MAPTGAAKDM4ELMNA
SCHEMBL24755747 0.78 MAPT (0.41) ALDH1A1MAPTGAAKDM4EMEN1
SCHEMBL27900467 0.77 MAPT (0.50) ALDH1A1MAPTGAAKDM4EMEN1
SCHEMBL5487812 0.76 HDAC3 (0.40) ALDH1A1MAPTGAAKDM4EMEN1
SCHEMBL2356967 0.76 MAPT (0.48) ALDH1A1MAPTGAAKDM4EMEN1
SCHEMBL9702942 0.75 MAPT (0.44) ALDH1A1MAPTGAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1205910-C Yellow hair coloring compositions with improved long wear characteristics P & P CLAROL INC (US) 2005-06-15 — — CN disclosed
CN-1190182-C Intermediates for use in oxidative hair coloring P & G KLEROL INC (US) 2005-02-23 — — CN disclosed
CN-1462183-A Yellow hair coloring compositions with improved long wear characteristics P & G CLAROL INC (US) 2003-12-17 — — CN disclosed
CN-1404384-A Novel primary intermediates for use in oxidative hair dyeing P & G KLEROL INC (US) 2003-03-19 — — CN disclosed
US-4024144-A SULFONIC ACID GROUPS BAYER AKTIENGESELLSCHAFT (DT) 1977-05-17 — — US disclosed
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