SCHEMBL9057474

SCHEMBL9057474

CCOC(=O)CN1NC(Cc2ccc(Br)cc2)=C(C(=O)OC)C1C

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
LMNA P02545 4/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 3/20 0.39
HTT P42858 1/20 0.39
PDE3B Q13370 3/20 0.39
PDE3A Q14432 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TDP1 Q9NUW8 1/20 0.36
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPK1 P28482 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
SCHEMBL9056577 0.86 KMT2A (0.37) POLBLMNAALDH1A1HTTPDE3B
SCHEMBL9056198 0.84 LMNA (0.37) POLBLMNAMAPTALDH1A1HTT
SCHEMBL9056202 0.82 SMN1; SMN2 (0.36) POLBLMNAMAPTALDH1A1HTT
SCHEMBL9057380 0.80 KMT2A (0.35) LMNAMAPTALDH1A1HTTL3MBTL1
SCHEMBL9057431 0.77 LMNA (0.40) POLBLMNAMAPTALDH1A1HTT
SCHEMBL9057433 0.77 POLB (0.40) POLBLMNAMAPTALDH1A1HTT
SCHEMBL9056310 0.74 SMN1; SMN2 (0.36) POLBLMNAMAPTALDH1A1HTT
SCHEMBL9056909 0.72 SMN1; SMN2 (0.35) POLBLMNAMAPTALDH1A1HTT
SCHEMBL9057475 0.70 LMNA (0.42) POLBLMNAMAPTALDH1A1HTT
SCHEMBL9057832 0.70 PDE3B (0.41) POLBLMNAMAPTALDH1A1HTT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1996004273-A1 NEW PYRAZOLE DERIVATIVES AS ANGIOTENSIN II ANTAGONIST J. URIACH & CIA, S.A. (ES) 1996-02-15 WO disclosed