SCHEMBL28312376

SCHEMBL28312376

O=Cc1ccccc1N1CCCC1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ TP53 P04637 2/20 0.42
▸ HSD17B10 Q99714 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ GFER P55789 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ APOBEC3A P31941 1/20 0.40
▸ APOBEC3G Q9HC16 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ MGLL Q99685 1/20 0.38
▸ AKR1C3 P42330 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
SCHEMBL2456070 0.85 TP53 (0.41) MEN1KMT2ATP53HSD17B10ALDH1A1
SCHEMBL16382666 0.80 GFER (0.39) MEN1KMT2ATP53HSD17B10ALDH1A1
SCHEMBL7667197 0.80 TP53 (0.39) MEN1KMT2ATP53HSD17B10ALDH1A1
SCHEMBL7787664 0.77 HSD17B10 (0.53) MEN1KMT2ATP53HSD17B10ALDH1A1
SCHEMBL27482179 0.76 KDM4E (0.42) MEN1KMT2ATP53HSD17B10ALDH1A1
SCHEMBL7664279 0.75 L3MBTL1 (0.37) MEN1KMT2ATP53HSD17B10ALDH1A1
SCHEMBL22997585 0.75 HSD17B10 (0.44) MEN1KMT2ATP53HSD17B10ALDH1A1
SCHEMBL3770108 0.75 MEN1 (0.63) MEN1KMT2ATP53HSD17B10ALDH1A1
SCHEMBL8902463 0.75 NPC1 (0.49) MEN1KMT2ATP53HSD17B10ALDH1A1
SCHEMBL3842955 0.75 HSD17B10 (0.44) MEN1KMT2ATP53HSD17B10ALDH1A1

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-110205107-A A kind of oilfield chemistry oil recovery compound ion class water plugging profile control agent and preparation method thereof 黑龙江益瑞化工有限公司 2019-09-06 — — CN disclosed
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