SCHEMBL19986035

SCHEMBL19986035

c1ccc2cc(-c3ccc(-n4c5ccccc5c5c6c7ccccc7c7ccccc7c6c6c7ccccc7oc6c54)cc3)ccc2c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
MTOR P42345 1/20 0.33
NPC1 O15118 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.33
CYP1A1 P04798 1/20 0.33
CYP1B1 Q16678 1/20 0.33
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
PGR P06401 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPK8 P45983 1/20 0.31
MAPK9 P45984 1/20 0.31
MAPK10 P53779 1/20 0.31
TUBB4A P04350 1/20 0.31
TUBB P07437 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
SCHEMBL19986032 0.93 TDP1 (0.35) CYP1A2CYP1A1CYP1B1TDP1L3MBTL1
SCHEMBL19986029 0.92 TDP1 (0.33) TDP1L3MBTL1KMT2AALDH1A1MEN1
SCHEMBL19986051 0.91 HSD17B1 (0.33) NPC1CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL19986027 0.91 RAB9A (0.35) NPC1CYP1A2CYP2C9CYP2C19RAB9A
SCHEMBL19986056 0.90 PLA2G2A (0.33) L3MBTL1KMT2AALDH1A1MEN1POLB
SCHEMBL19986020 0.88 PLA2G2A (0.38) L3MBTL1KMT2AALDH1A1MEN1POLB
SCHEMBL19986042 0.88 KDM4E (0.37) L3MBTL1KMT2AALDH1A1MEN1POLB
SCHEMBL19986007 0.88 KDM4E (0.37) L3MBTL1KMT2AALDH1A1MEN1POLB
SCHEMBL19986066 0.87 ALDH1A1 (0.35) NPC1CYP1A2CYP2C19RAB9AKMT2A
SCHEMBL19986077 0.87 NPC1 (0.35) NPC1RAB9AKMT2AALDH1A1MEN1

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