SCHEMBL11080877

SCHEMBL11080877

Brc1ccc(/C=C/N2CCOCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.55
NPC1 O15118 4/20 0.55
ALDH1A1 P00352 5/20 0.47
LMNA P02545 3/20 0.47
MGLL Q99685 1/20 0.44
GPR183 P32249 2/20 0.43
KCNH2 Q12809 1/20 0.43
MAPT P10636 4/20 0.42
POLB P06746 1/20 0.42
CYP1A1 P04798 1/20 0.42
CYP1B1 Q16678 1/20 0.42
KDM4E B2RXH2 2/20 0.40
KMT2A Q03164 2/20 0.40
TSHR P16473 1/20 0.40
AKR1C3 P42330 1/20 0.39
PHGDH O43175 1/20 0.38
MITF O75030 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MEN1 O00255 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL11080880 1.00 RAB9A (0.55) RAB9ANPC1ALDH1A1LMNAMGLL
SCHEMBL6509083 0.82 RAB9A (0.54) RAB9ANPC1ALDH1A1LMNAMAPT
SCHEMBL6509077 0.82 RAB9A (0.54) RAB9ANPC1ALDH1A1LMNAMAPT
SCHEMBL22230800 0.82 GPR183 (0.43) RAB9ANPC1ALDH1A1GPR183SMN1; SMN2
SCHEMBL22230801 0.82 GPR183 (0.43) RAB9ANPC1ALDH1A1GPR183SMN1; SMN2
SCHEMBL10410292 0.81 L3MBTL1 (0.55) RAB9ANPC1ALDH1A1LMNAMGLL
SCHEMBL10410291 0.81 L3MBTL1 (0.55) RAB9ANPC1ALDH1A1LMNAMGLL
SCHEMBL31547242 0.81 RAB9A (0.43) RAB9ANPC1ALDH1A1LMNAGPR183
SCHEMBL28121251 0.72 RAB9A (0.47) RAB9ANPC1ALDH1A1LMNAMAPT
SCHEMBL9222171 0.71 GAA (0.48) RAB9ANPC1ALDH1A1MAPTPOLB

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-0022906-B1 PROCESS FOR THE PREPARATION OF PYRAZOLE DERIVATIVES SCHERING AKTIENGESELLSCHAFT (DE) 1984-08-08 EP disclosed
EP-0022906-A1 Process for the preparation of pyrazole derivatives SCHERING AKTIENGESELLSCHAFT (DE) 1981-01-28 EP disclosed