SCHEMBL11409191

SCHEMBL11409191

O=C(c1cc[c]cc1)N(c1ccccc1)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 4/20 0.43
NR1H3 Q13133 2/20 0.40
NR1H2 P55055 1/20 0.37
RAB9A P51151 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CES1 P23141 1/20 0.36
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 2/20 0.36
RORC P51449 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34
ADRA2C P18825 1/20 0.34
HPGD P15428 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HTT P42858 2/20 0.33
NPC1 O15118 2/20 0.33
MEN1 O00255 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
SCHEMBL530567 0.88 MLYCD (0.49) MLYCDNR1H3NR1H2RAB9ATDP1
SCHEMBL24193623 0.84 NR1H3 (0.49) MLYCDNR1H3NR1H2RAB9ATDP1
SCHEMBL6678148 0.77 NPSR1 (0.50) RAB9ATDP1L3MBTL1SMN1; SMN2KMT2A
SCHEMBL2638778 0.77 NR1H3 (0.50) MLYCDNR1H3NR1H2RAB9ATDP1
SCHEMBL6250057 0.76 HSD17B10 (0.43) MLYCDRAB9ASMN1; SMN2KMT2ANPSR1
SCHEMBL11416543 0.75 RAB9A (0.41) MLYCDNR1H3RAB9ATDP1L3MBTL1
SCHEMBL28075002 0.75 L3MBTL1 (0.44) MLYCDRAB9ATDP1L3MBTL1SMN1; SMN2
SCHEMBL1008397 0.74 NPSR1 (0.44) MLYCDNR1H3RAB9ATDP1L3MBTL1
SCHEMBL11770408 0.74 KMT2A (0.64) NR1H3NR1H2RAB9AKMT2AKDM4E
SCHEMBL9862602 0.73 NR3C2 (0.43) MLYCDRAB9ATDP1L3MBTL1SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4202814-A AZO DYES GIVING FAST RED COLOR CIBA-GEIGY CORPORATION (US) 1980-05-13 US disclosed