SCHEMBL22367012

SCHEMBL22367012

c1ccccccc(NNC2CCCCCCCCCCCC2)cccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.52
EPHX2 P34913 3/20 0.52
EPHX1 P07099 2/20 0.52
RAB9A P51151 2/20 0.52
TDP1 Q9NUW8 2/20 0.48
ALDH1A1 P00352 2/20 0.48
CTSD P07339 1/20 0.48
GAA P10253 3/20 0.46
LMNA P02545 3/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPK1 P28482 1/20 0.46
HPGD P15428 2/20 0.46
METAP2 P50579 1/20 0.45
KDM4E B2RXH2 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
NPY5R Q15761 1/20 0.41

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
SCHEMBL22792525 1.00 SMN1; SMN2 (0.52) SMN1; SMN2EPHX2EPHX1RAB9ATDP1
SCHEMBL20892706 1.00 SMN1; SMN2 (0.52) SMN1; SMN2EPHX2EPHX1RAB9ATDP1
SCHEMBL22732504 1.00 SMN1; SMN2 (0.52) SMN1; SMN2EPHX2EPHX1RAB9ATDP1
SCHEMBL3091778 1.00 SMN1; SMN2 (0.52) SMN1; SMN2EPHX2EPHX1RAB9ATDP1
SCHEMBL20926000 1.00 SMN1; SMN2 (0.52) SMN1; SMN2EPHX2EPHX1RAB9ATDP1
SCHEMBL24949035 1.00 SMN1; SMN2 (0.52) SMN1; SMN2EPHX2EPHX1RAB9ATDP1
SCHEMBL18880248 0.98 TDP1 (0.50) SMN1; SMN2EPHX2EPHX1RAB9ATDP1
SCHEMBL27727490 0.88 TDP1 (0.55) SMN1; SMN2EPHX2EPHX1RAB9ATDP1
SCHEMBL23441678 0.83 RAB9A (0.54) SMN1; SMN2EPHX2EPHX1RAB9AALDH1A1
SCHEMBL15677756 0.81 RAB9A (0.53) SMN1; SMN2EPHX1RAB9AALDH1A1GAA

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
EP-3875451-A1 TLR8 AGONIST Chia Tai Tianqing Pharmaceutical Group Co., Ltd. (CN) 2021-09-08 EP disclosed
EP-3434668-B1 INDOLO-SUBSTITUTED-PIPERIDINE COMPOUNDS AS ESTROGEN RECEPTOR DEGRADING AGENT LUOXIN PHARMACEUTICAL SHANGHAI CO LTD (CN) 2020-08-26 EP disclosed