SCHEMBL20860427

SCHEMBL20860427

Cc1ccc(C2=CCCC(N)=C2)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.37
GAA P10253 1/20 0.37
ALDH1A1 P00352 3/20 0.34
TDP1 Q9NUW8 3/20 0.34
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TP53 P04637 3/20 0.33
ALOX15 P16050 2/20 0.33
HSD17B10 Q99714 1/20 0.33
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.31
THRB P10828 1/20 0.31
FGFR1 P11362 1/20 0.31
FGFR2 P21802 1/20 0.31
TLR8 Q9NR97 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL20860298 0.79 CYP3A4 (0.33) TDP1SMN1; SMN2NPC1RAB9ACYP3A4
SCHEMBL21991016 0.77 ALDH1A1 (0.31) MAPTGAAALDH1A1SMN1; SMN2KDM4E
SCHEMBL22899224 0.75 ACHE (0.34) MAPTALDH1A1TDP1HPGDSMN1; SMN2
SCHEMBL23172696 0.73 RAB9A (0.41) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL24771970 0.72
SCHEMBL21182964 0.72 CD44 (0.34) TDP1CYP3A4
SCHEMBL20860301 0.72 ALDH1A1 (0.36) ALDH1A1
SCHEMBL24664401 0.70 GAA (0.36) MAPTGAAALDH1A1TDP1HPGD
SCHEMBL21665531 0.67 ALDH1A1 (0.38) MAPTGAAALDH1A1TDP1HPGD
SCHEMBL3043421 0.66 TDP1 (0.52) MAPTGAAALDH1A1TDP1SMN1; SMN2

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
EP-3461830-B1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND SAMSUNG ELECTRONICS CO LTD (KR) 2021-01-20 EP disclosed
EP-3461830-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND Samsung Electronics Co., Ltd. (KR) 2019-04-03 EP disclosed