SCHEMBL28985646

SCHEMBL28985646

C=Cc1ncnc(Oc2ccccc2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.40
TSHR P16473 2/20 0.37
LTA4H P09960 1/20 0.37
CYP1A2 P05177 6/20 0.37
SMN1; SMN2 Q16637 5/20 0.37
RAB9A P51151 3/20 0.37
CYP2C19 P33261 3/20 0.37
CYP2C9 P11712 3/20 0.37
NPC1 O15118 2/20 0.37
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
GAA P10253 2/20 0.36
MAP4K4 O95819 1/20 0.36
ALDH1A1 P00352 6/20 0.35
HTT P42858 2/20 0.35
GLA P06280 4/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
TRPA1 O75762 1/20 0.34
MAPK1 P28482 2/20 0.34

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
SCHEMBL4440205 0.81 TSHR (0.50) PAX8TSHRLTA4HCYP1A2SMN1; SMN2
SCHEMBL3416586 0.73 MAP4K4 (0.45) PAX8TSHRLTA4HCYP1A2SMN1; SMN2
SCHEMBL10341611 0.73 KMT2A (0.46) PAX8TSHRLTA4HCYP1A2SMN1; SMN2
SCHEMBL28102300 0.73 HTT (0.43) PAX8TSHRLTA4HCYP1A2SMN1; SMN2
SCHEMBL20298287 0.71 MEN1 (0.46) PAX8TSHRLTA4HCYP1A2SMN1; SMN2
Ethylene SCHEMBL28985647 0.70 LTA4H (0.46) PAX8TSHRLTA4HCYP1A2SMN1; SMN2
SCHEMBL28091115 0.69 NPC1 (0.38) TSHRSMN1; SMN2RAB9ANPC1KMT2A
Benzene SCHEMBL28280515 0.69 NPC1 (0.38) TSHRSMN1; SMN2RAB9ANPC1KMT2A
SCHEMBL108195 0.69 LTA4H (0.50) PAX8TSHRLTA4HCYP1A2SMN1; SMN2
SCHEMBL11810231 0.68 ALDH1A1 (0.41) PAX8TSHRLTA4HCYP1A2SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115832296-B Preparation process of flexible self-supporting carbon aerogel electrode material 哈尔滨师范大学 2023-06-09 CN claimed
CN-115832296-A Preparation process of flexible self-supporting carbon aerogel electrode material 哈尔滨师范大学 2023-03-21 CN claimed
CN-115832296-B Preparation process of flexible self-supporting carbon aerogel electrode material 哈尔滨师范大学 2023-06-09 CN disclosed
CN-115832296-A Preparation process of flexible self-supporting carbon aerogel electrode material 哈尔滨师范大学 2023-03-21 CN disclosed