SCHEMBL9003734

SCHEMBL9003734

C=C[B-](c1ccc(F)cc1)(c1ccc(F)cc1)c1ccc(F)cc1.COC(=O)C(C(=O)OC)=C(C[S+](c1ccc(C(C)(C)C)cc1)c1ccc(C(C)(C)C)cc1)c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.35
KMT2A Q03164 4/20 0.35
ESRRG P62508 2/20 0.34
L3MBTL1 Q9Y468 4/20 0.34
MAPT P10636 4/20 0.33
NPC1 O15118 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
MEN1 O00255 3/20 0.33
POLB P06746 2/20 0.33
MAPK1 P28482 2/20 0.33
CASP3 P42574 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
KCNK9 Q9NPC2 1/20 0.33
XBP1 P17861 1/20 0.33
HTT P42858 1/20 0.33
LMNA P02545 5/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
RECQL P46063 1/20 0.31

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
SCHEMBL9003624 0.84 ESRRG (0.33) RAB9AKMT2AESRRGL3MBTL1MAPT
Perchlorate SCHEMBL9003577 0.80 ESRRG (0.42) RAB9AKMT2AESRRGL3MBTL1MAPT
SCHEMBL9003719 0.73 TSHR (0.43) KMT2AMAPTNPC1SMN1; SMN2MEN1
SCHEMBL9003367 0.68 RAB9A (0.35) RAB9AKMT2AESRRGL3MBTL1MAPT
SCHEMBL9003615 0.66 RAB9A (0.50) RAB9AKMT2AESRRGL3MBTL1MAPT
SCHEMBL9003470 0.66 ESRRB (0.33) RAB9AKMT2ANPC1SMN1; SMN2MEN1
Perchlorate SCHEMBL9003401 0.62 TDP1 (0.39) RAB9AKMT2AESRRGL3MBTL1MAPT
SCHEMBL9003589 0.61 ALDH1A1 (0.40) RAB9AKMT2AESRRGL3MBTL1MAPT
SCHEMBL27941245 0.60 TSHR (0.48) KMT2AMAPTSMN1; SMN2MEN1MAPK1
SCHEMBL9003411 0.59 TDP1 (0.36) RAB9AKMT2AESRRGL3MBTL1MAPT

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-5500453-A INITIATOR FOR PHOTOSENSITIVE FREE RADICAL CURING/ POLYMERIZATION OF UNSATURATED COMPOUNDS TOYO INK MANUFACTURING CO., LTD. (JP) 1996-03-19 US disclosed