SCHEMBL16445992

SCHEMBL16445992

CCN(CC)CCn1c2ccc(C(=O)O)cc2c2c3c(ccc21)C(=O)CC3

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.55
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
G6PD P11413 1/20 0.40
NPC1 O15118 2/20 0.37
WEE1 P30291 1/20 0.37
CNR2 P34972 3/20 0.37
CSNK2A1 P68400 1/20 0.35
POLB P06746 1/20 0.35
HIF1A Q16665 1/20 0.35
KDR P35968 2/20 0.35
TEK Q02763 2/20 0.35
EGFR P00533 1/20 0.35
PTGER4 P35408 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
SCHEMBL16154635 0.92 TP53 (0.65) TP53KDM4EALDH1A1HPGDTSHR
SCHEMBL16447960 0.91 TP53 (0.54) TP53KDM4EALDH1A1HPGDTSHR
SCHEMBL16454335 0.91 TP53 (0.54) TP53KDM4EALDH1A1HPGDTSHR
SCHEMBL16454338 0.90 TP53 (0.55) TP53KDM4EALDH1A1HPGDTSHR
SCHEMBL16446048 0.88 TP53 (0.51) TP53KDM4EALDH1A1HSD17B10G6PD
SCHEMBL16454748 0.86 TP53 (0.62) TP53KDM4EALDH1A1HPGDTSHR
SCHEMBL16625998 0.86 TP53 (0.62) TP53ALDH1A1NPC1WEE1CNR2
SCHEMBL16454764 0.85 TP53 (0.61) TP53KDM4EHSD17B10NPC1CNR2
SCHEMBL12608711 0.84 TP53 (0.43) TP53KDM4EALDH1A1HPGDHSD17B10
SCHEMBL16454348 0.84 SMN1; SMN2 (0.46) TP53G6PDWEE1HIF1AKDR

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
WO-2015020553-A1 CARBAZOLE COMPOUNDS AND METHODS OF USING SAME OBSCHESTVO S OGRANICHENNOY OTVETSTVENNOST'YU "PANACELA LABS" (RU) 2015-02-12 WO disclosed
WO-2015020553-A1 CARBAZOLE COMPOUNDS AND METHODS OF USING SAME OBSCHESTVO S OGRANICHENNOY OTVETSTVENNOST'YU "PANACELA LABS" (RU) 2015-02-12 WO disclosed