SCHEMBL19986027

SCHEMBL19986027

c1ccc2cc(-n3c4ccccc4c4c5c6ccccc6c6ccccc6c5c5c6ccccc6oc5c43)ccc2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PMM2 O15305 1/20 0.34
MPI P34949 1/20 0.34
PHOSPHO1 Q8TCT1 1/20 0.34
ALDH1A1 P00352 7/20 0.32
RXFP1 Q9HBX9 4/20 0.32
LMNA P02545 3/20 0.32
PPARG P37231 3/20 0.32
NR2E3 Q9Y5X4 3/20 0.32
NCOR2 Q9Y618 3/20 0.32
NPSR1 Q6W5P4 1/20 0.32
POLB P06746 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 2/20 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
SCHEMBL19986044 0.93 TDP1 (0.38) CYP1A2CYP2C9CYP2C19TDP1L3MBTL1
SCHEMBL17427572 0.92 RAB9A (0.36) RAB9ANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL19986047 0.91 TDP1 (0.36) RAB9ANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL19986035 0.91 PIK3CD (0.33) RAB9ANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL17451681 0.90 RAB9A (0.35) RAB9ANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL19986051 0.89 HSD17B1 (0.33) RAB9ANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL19986058 0.88 RXFP1 (0.34) TDP1L3MBTL1ALDH1A1RXFP1LMNA
SCHEMBL17427710 0.88 RAB9A (0.35) RAB9ANPC1CYP1A2CYP2C9CYP2C19
SCHEMBL19986085 0.86 AHR (0.38) RAB9ANPC1TDP1L3MBTL1ALDH1A1
SCHEMBL19986052 0.86 ALDH1A1 (0.38) RAB9ANPC1CYP1A2CYP2C19TDP1

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-20180083202-A1 COMPOUND FOR ORGANIC OPTOELECTRIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRIC DEVICE AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2018-03-22 US disclosed
US-20180083202-A1 COMPOUND FOR ORGANIC OPTOELECTRIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRIC DEVICE AND ORGANIC OPTOELECTRIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2018-03-22 US disclosed