SCHEMBL28335754

SCHEMBL28335754

O=C(Nc1ccccc1-c1ccccc1)Oc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
CHRM3 P20309 5/20 0.54
CHRM2 P08172 3/20 0.54
CHRM1 P11229 3/20 0.54
ALDH1A1 P00352 5/20 0.53
LMNA P02545 1/20 0.53
PLA2G1B P04054 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ATG4B Q9Y4P1 1/20 0.53
CYP2C9 P11712 1/20 0.53
HPGD P15428 1/20 0.53
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
TRPV1 Q8NER1 1/20 0.51
KDM4E B2RXH2 1/20 0.50
HTT P42858 1/20 0.50
MAPT P10636 1/20 0.50
CYP1A2 P05177 1/20 0.50

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
SCHEMBL2092774 0.82 ALDH1A1 (0.57) MEN1KMT2ACHRM3CHRM2CHRM1
SCHEMBL28465160 0.81 TRPV1 (0.50) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL2092771 0.81 CHRM3 (0.55) MEN1KMT2ACHRM3CHRM2CHRM1
SCHEMBL18762046 0.81 CHRM3 (0.55) MEN1KMT2ACHRM3CHRM2CHRM1
SCHEMBL1641651 0.79 KMT2A (0.55) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL8154848 0.79 TRPV1 (0.66) MEN1KMT2AALDH1A1HPGDNPC1
SCHEMBL27519034 0.79 KMT2A (0.46) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL4903194 0.79 HSD17B10 (0.49) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL6804321 0.79 KMT2A (0.46) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL3784994 0.78 ALDH1A1 (0.54) MEN1KMT2ACHRM3ALDH1A1LMNA

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
CN-110546135-B Method for producing isocyanate 旭化成株式会社 2021-12-14 CN disclosed
CN-112020493-A Method for producing carbamate and method for producing isocyanate 旭化成株式会社 2020-12-01 CN disclosed
CN-110546135-A Method for producing isocyanate ASAHI CHEMICAL IND 2019-12-06 CN disclosed