SCHEMBL17985346

SCHEMBL17985346

Cc1ccc(I)c(-c2ccccc2C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.45
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HPGD P15428 2/20 0.41
ALOX15 P16050 2/20 0.41
USP2 O75604 1/20 0.41
MAPT P10636 1/20 0.41
C1R P00736 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
GLA P06280 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP2A6 P11509 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP1A2 P05177 2/20 0.36
CASP3 P42574 1/20 0.36

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
SCHEMBL851675 0.83 ELANE (0.45) ELANEMEN1KMT2AHPGDALOX15
SCHEMBL277747 0.82 ELANE (0.52) ELANEMEN1KMT2AHPGDALOX15
SCHEMBL12110836 0.80 TSHR (0.45) HPGDC1RNPC1RAB9ASMN1; SMN2
SCHEMBL24625661 0.79 ELANE (0.45) ELANEMEN1KMT2AHPGDALOX15
SCHEMBL7898730 0.78 HDAC7 (0.49) ELANEMEN1KMT2AHPGDMAPT
SCHEMBL29590360 0.78 ELANE (0.52) ELANEMEN1KMT2AHPGDALOX15
SCHEMBL11729295 0.78 ELANE (0.52) ELANEMEN1KMT2AHPGDALOX15
SCHEMBL19217642 0.76 MAOA (0.41) ELANEMEN1KMT2AHPGDALOX15
SCHEMBL31746199 0.75 HPGD (0.59) ELANEMEN1KMT2AHPGDALOX15
SCHEMBL15430420 0.75 HPGD (0.59) ELANEMEN1KMT2AHPGDALOX15

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
WO-2016119992-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2016-08-04 WO disclosed