SCHEMBL28015201

SCHEMBL28015201

CCCCOc1ccc(-c2nnco2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.61
NPC1 O15118 6/20 0.61
ALDH1A1 P00352 4/20 0.57
TSHR P16473 3/20 0.57
KDM4E B2RXH2 3/20 0.57
MAPT P10636 3/20 0.57
HSD17B10 Q99714 3/20 0.57
LMNA P02545 1/20 0.57
TLR8 Q9NR97 1/20 0.55
CYP2D6 P10635 4/20 0.55
CYP3A4 P08684 2/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
HPGD P15428 2/20 0.55
TP53 P04637 1/20 0.55
NOTUM Q6P988 4/20 0.54
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
GAA P10253 1/20 0.50
CYP1A2 P05177 2/20 0.49
CYP19A1 P11511 2/20 0.49

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
SCHEMBL8705756 0.97 RAB9A (0.58) RAB9ANPC1ALDH1A1TSHRKDM4E
SCHEMBL28014511 0.95 RAB9A (0.57) RAB9ANPC1ALDH1A1TSHRKDM4E
SCHEMBL28015200 0.95 RAB9A (0.57) RAB9ANPC1ALDH1A1TSHRKDM4E
SCHEMBL9207199 0.83 RAB9A (0.53) RAB9ANPC1ALDH1A1TSHRMAPT
SCHEMBL1824828 0.79 NOTUM (0.56) RAB9ANPC1ALDH1A1TSHRKDM4E
SCHEMBL4581181 0.78 NOTUM (0.65) RAB9ANPC1ALDH1A1TSHRKDM4E
SCHEMBL4723124 0.77 NPC1 (0.60) RAB9ANPC1ALDH1A1TSHRKDM4E
SCHEMBL17694561 0.76 NOTUM (0.78) ALDH1A1TSHRKDM4EMAPTLMNA
SCHEMBL28273399 0.76 NOTUM (0.63) RAB9ANPC1ALDH1A1TSHRKDM4E
SCHEMBL9208154 0.76 RAB9A (0.49) RAB9ANPC1ALDH1A1TSHRKDM4E

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
CN-104628713-A Bipolar blue-ray phosphor compound, as well as preparation method and organic electroluminescent device thereof OCEANS KING LIGHTING SCIENCE 2015-05-20 CN disclosed
CN-104629008-A Bipolar blue-ray phosphorescent polymer, as well as preparation method and organic electroluminescent device thereof OCEANS KING LIGHTING SCIENCE 2015-05-20 CN disclosed