SCHEMBL9306299

SCHEMBL9306299

COc1cccc(NNc2cccc(NC(C)=O)c2)c1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.71
MTNR1A P48039 3/20 0.70
MTNR1B P49286 3/20 0.70
TP53 P04637 2/20 0.60
PKM P14618 2/20 0.60
KMT2A Q03164 2/20 0.60
RXFP1 Q9HBX9 1/20 0.60
MEN1 O00255 1/20 0.60
MAPT P10636 1/20 0.60
NPC1 O15118 3/20 0.59
RAB9A P51151 3/20 0.59
ALDH1A1 P00352 2/20 0.59
NLRP3 Q96P20 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
MAPK1 P28482 1/20 0.58
KCNK3 O14649 1/20 0.56
KCNK9 Q9NPC2 1/20 0.56
MITF O75030 1/20 0.56

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
SCHEMBL171425 0.93 MTNR1A (0.79) TSHRMTNR1AMTNR1BTP53PKM
SCHEMBL29875454 0.93 MTNR1A (0.79) TSHRMTNR1AMTNR1BTP53PKM
Acetic Acid SCHEMBL28264765 0.90 MTNR1A (0.74) TSHRMTNR1AMTNR1BTP53PKM
SCHEMBL10811158 0.84 MTNR1A (0.67) TSHRMTNR1AMTNR1BTP53PKM
SCHEMBL28010783 0.83 MTNR1A (0.60) TSHRMTNR1AMTNR1BTP53PKM
SCHEMBL17084260 0.83 TP53 (0.84) TSHRTP53KMT2ARXFP1MEN1
SCHEMBL8326648 0.82 KMT2A (0.60) TSHRMTNR1AMTNR1BTP53PKM
SCHEMBL18285439 0.82 MTNR1A (0.63) TSHRMTNR1AMTNR1BTP53PKM
SCHEMBL4893387 0.81 TP53 (0.87) TSHRTP53KMT2ARXFP1MEN1
SCHEMBL31040569 0.81 TP53 (0.87) TSHRTP53KMT2ARXFP1MEN1

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-5280110-A Fiber-reactive dye HOECHST AKTIENGESELLSCHAFT (DE) 1994-01-18 US disclosed