SCHEMBL1637841

SCHEMBL1637841

CNC=C(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
MAPK1 P28482 2/20 0.41
TSHR P16473 4/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
CYP1A2 P05177 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MCOLN3 Q8TDD5 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP19A1 P11511 1/20 0.39
CYP11B2 P19099 1/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNB4 P30926 1/20 0.38
CHRNA3 P32297 1/20 0.38
CHRNA4 P43681 1/20 0.38
PTGS2 P35354 1/20 0.37
CES1 P23141 3/20 0.37

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
SCHEMBL8331470 0.80 NFE2L2 (0.43) ALDH1A1TDP1MAPK1TSHRCYP2C9
SCHEMBL11285223 0.79 ALDH1A1 (0.41) MTNR1AMTNR1BALDH1A1TDP1MAPK1
SCHEMBL20037284 0.78 KDM1A (0.42) MTNR1AMTNR1BALDH1A1TDP1MAPK1
SCHEMBL23431996 0.76 CA12 (0.41) MTNR1AMTNR1BALDH1A1TDP1MAPK1
SCHEMBL19159184 0.76 TDP1 (0.41) ALDH1A1TDP1MAPK1TSHRCYP2C19
SCHEMBL2270399 0.76 TSHR (0.39) MTNR1AMTNR1BALDH1A1TDP1MAPK1
SCHEMBL28204262 0.75 MAOA (0.41) MTNR1AMTNR1BALDH1A1TDP1MAPK1
Hydrochloric Acid SCHEMBL2313252 0.75 MEN1 (0.43) ALDH1A1TDP1MAPK1TSHRNPSR1
SCHEMBL8770857 0.73 ALDH1A1 (0.48) ALDH1A1TDP1CYP2C9CYP2C19CYP1A2
SCHEMBL14525170 0.73 TDP1 (0.35) ALDH1A1TDP1MAPK1TSHRCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8536242-B2 Photocurable composition SEKISUI CHEMICAL CO., LTD. (JP) 2013-09-17 US disclosed
US-20110097669-A1 PHOTOCURABLE COMPOSITION SEKISUI CHEMICAL CO., LTD. (JP) 2011-04-28 US disclosed