SCHEMBL13578697

SCHEMBL13578697

CC(C)N(c1ccc(C(=O)Oc2ccc(-c3nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n3)cc2)cc1)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 12/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ THRB P10828 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ KDM4E B2RXH2 5/20 0.36
▸ HSP90AA1 P07900 4/20 0.36
▸ HTT P42858 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 2/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ PRSS1 P07477 1/20 0.34
▸ ACR P10323 1/20 0.34
▸ CTRC Q99895 1/20 0.34
▸ HPGD P15428 1/20 0.34

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
SCHEMBL13578473 0.84 EGFR (0.41) MAPTKMT2ASMN1; SMN2THRBNPC1
SCHEMBL13578706 0.83 HTT (0.31) MAPTSMN1; SMN2KDM4EHTTALDH1A1
SCHEMBL8956431 0.82 PARP10 (0.42) MAPTKMT2ASMN1; SMN2NPC1ALDH1A1
SCHEMBL126667 0.80 PARP10 (0.45) MAPTKMT2ASMN1; SMN2NPC1ALDH1A1
SCHEMBL16114028 0.80 KMT2A (0.50) MAPTKMT2ASMN1; SMN2NPC1ALDH1A1
SCHEMBL9871665 0.76 KMT2A (0.56) MAPTKMT2ASMN1; SMN2THRBNPC1
SCHEMBL13222378 0.76 HSD17B10 (0.50) MAPTKMT2ASMN1; SMN2NPC1KDM4E
SCHEMBL394648 0.74 — —
SCHEMBL7746430 0.74 MAPT (0.47) MAPTKMT2ASMN1; SMN2NPC1KDM4E
SCHEMBL9872218 0.72 ESR1 (0.55) MAPTKMT2ASMN1; SMN2NPC1ALDH1A1

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-7629051-B2 Optical film containing fluorinated photopolymerization initiator, antireflective film, polarizing plate and image display unit including same FUJIFILM CORPORATION (JP) 2009-12-08 — — US disclosed
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