SCHEMBL22202241

SCHEMBL22202241

CCC1C=Cc2ccccc2N1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.43
LMNA P02545 2/20 0.43
ALDH1A1 P00352 4/20 0.40
MAPK1 P28482 3/20 0.40
TSHR P16473 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 6/20 0.37
MEN1 O00255 5/20 0.37
P2RX4 Q99571 4/20 0.37
P2RX1 P51575 3/20 0.37
P2RX3 P56373 3/20 0.37
P2RX7 Q99572 2/20 0.37
PTBP1 P26599 1/20 0.37
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
MAPT P10636 5/20 0.35
NPC1 O15118 1/20 0.35

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
SCHEMBL28254814 0.84 SMN1; SMN2 (0.42) SMN1; SMN2LMNAALDH1A1MAPK1TSHR
SCHEMBL28255971 0.84 SMN1; SMN2 (0.39) SMN1; SMN2LMNAALDH1A1MAPK1TSHR
SCHEMBL32677342 0.80 NR1H2 (0.38) SMN1; SMN2LMNAALDH1A1MAPK1TSHR
SCHEMBL3625895 0.80 SMN1; SMN2 (0.39) SMN1; SMN2LMNAALDH1A1MAPK1TSHR
SCHEMBL28886571 0.80 SMN1; SMN2 (0.42) SMN1; SMN2LMNAALDH1A1MAPK1TSHR
SCHEMBL31037175 0.80 KMT2A (0.38) SMN1; SMN2LMNAALDH1A1MAPK1TSHR
SCHEMBL31037174 0.80 KMT2A (0.38) SMN1; SMN2LMNAALDH1A1MAPK1TSHR
SCHEMBL19407368 0.78 SLC6A2 (0.43) SMN1; SMN2LMNAALDH1A1MAPK1TSHR
Iodide SCHEMBL31037173 0.78 KMT2A (0.37) SMN1; SMN2LMNAALDH1A1MAPK1TSHR
SCHEMBL31081083 0.78 SLC18A2 (0.41) SMN1; SMN2ALDH1A1MAPK1TSHRNPSR1

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-109314273-A Zinc halide cell using deep eutectic solvent based electrolyte EOS能源储存有限责任公司 2019-02-05 CN claimed
EP-2934563-B1 ANTIMICROBIAL COMPOUNDS, THEIR SYNTHESIS AND APPLICATIONS THEREOF JAWAHARLAL NEHRU CENTRE FOR ADVANCED SCIENT RESEARCH (IN) 2020-07-08 EP disclosed
CN-109314273-A Zinc halide cell using deep eutectic solvent based electrolyte EOS能源储存有限责任公司 2019-02-05 CN disclosed
CN-104080730-B Ionic liquid is used for the purposes for storing hydrogen 普罗伊奥尼克有限公司 2017-03-29 CN disclosed