SCHEMBL20195626

SCHEMBL20195626

COc1cccc(C(=O)Cl)c1COc1cccc(C)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 1/20 0.42
KMT2A Q03164 2/20 0.40
CTSD P07339 1/20 0.38
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
AKR1C3 P42330 1/20 0.36
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
VDR P11473 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
NPC1 O15118 2/20 0.35
CNR2 P34972 1/20 0.35
GRM5 P41594 1/20 0.35
ASIC3 Q9UHC3 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
SCHEMBL20195640 0.89 TP53 (0.42) GABRA5KMT2AMEN1RXFP1L3MBTL1
SCHEMBL20195624 0.85 GABRA5 (0.43) GABRA5KMT2APOLBATML3MBTL1
SCHEMBL20195668 0.84 RAB9A (0.44) GABRA5KMT2ACTSDMEN1KDM4E
SCHEMBL20195502 0.80 GABRA5 (0.40) GABRA5
SCHEMBL20195587 0.79 P2RX7 (0.43) KMT2ACTSDMEN1AKR1C3VDR
SCHEMBL20845023 0.78 NPC1 (0.38) KMT2ACTSDMEN1AKR1C3ATM
SCHEMBL18504485 0.78 CTSD (0.36) CTSDRXFP1AKR1C3ATML3MBTL1
SCHEMBL20195547 0.78 GABRA5 (0.46) GABRA5GRM5ASIC3
SCHEMBL20195590 0.78 GABRA5 (0.44) GABRA5KMT2AMEN1L3MBTL1KDM4E
SCHEMBL22564338 0.77 CTSD (0.35) CTSDRXFP1AKR1C3ATML3MBTL1

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
EP-3029035-B1 TETRAZOLINONE COMPOUND, AND USE THEREOF SUMITOMO CHEMICAL CO (JP) 2018-05-30 EP disclosed