SCHEMBL28299741

SCHEMBL28299741

COc1cccc(-c2c(C)nn(-c3ccccc3)c2-c2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
NPC1 O15118 3/20 0.54
POLB P06746 1/20 0.54
HPGD P15428 1/20 0.54
TP53 P04637 1/20 0.52
MAPT P10636 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
ALDH1A1 P00352 3/20 0.49
NPSR1 Q6W5P4 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
KDM4E B2RXH2 1/20 0.48
LMNA P02545 3/20 0.48
TSHR P16473 2/20 0.48
MAPK1 P28482 1/20 0.46
HSD17B10 Q99714 1/20 0.46
HIF1A Q16665 1/20 0.46
ADORA3 P0DMS8 1/20 0.46

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
SCHEMBL31500051 0.87 NPC1 (0.71) RAB9ASMN1; SMN2NPC1POLBHPGD
SCHEMBL8765128 0.83 SMN1; SMN2 (0.67) RAB9ASMN1; SMN2NPC1POLBHPGD
SCHEMBL28299664 0.82 CYP1A2 (0.54) RAB9ASMN1; SMN2NPC1TP53MAPT
SCHEMBL28301087 0.81 SMN1; SMN2 (0.58) RAB9ASMN1; SMN2NPC1POLBHPGD
SCHEMBL21208579 0.80 SMN1; SMN2 (0.57) RAB9ASMN1; SMN2NPC1POLBHPGD
SCHEMBL30000594 0.79 LMNA (0.57) RAB9ASMN1; SMN2NPC1POLBHPGD
SCHEMBL31500066 0.78 SMN1; SMN2 (0.59) RAB9ASMN1; SMN2NPC1POLBHPGD
SCHEMBL28847573 0.78 SMN1; SMN2 (0.54) RAB9ASMN1; SMN2NPC1POLBHPGD
SCHEMBL16872802 0.78 SMN1; SMN2 (0.58) RAB9ASMN1; SMN2NPC1POLBHPGD
SCHEMBL28299531 0.78 CYP1A2 (0.52) RAB9ASMN1; SMN2NPC1POLBHPGD

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
CN-109890822-A INHIBITORS OF CELLULAR METABOLIC PROCESSES 安吉奥斯医药品有限公司 2019-06-14 CN disclosed