SCHEMBL11245169

SCHEMBL11245169

CCC1(CC)COC(c2cccc(NC(=O)NC)c2)OC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.43
▸ MAPT P10636 5/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ HTT P42858 2/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ RAB9A P51151 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ POLB P06746 2/20 0.36
▸ BRD4 O60885 1/20 0.36
▸ SAE1 Q9UBE0 1/20 0.36
▸ UBA2 Q9UBT2 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ HCRTR1 O43613 1/20 0.35
▸ HCRTR2 O43614 1/20 0.35
▸ DDX3X O00571 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
SCHEMBL11248901 0.72 MEN1 (0.40) MEN1KMT2AALDH1A1RECQLKDM4E
SCHEMBL11245138 0.71 KDM1A (0.34) TSHRMEN1KMT2AMAPK1RAB9A
SCHEMBL5362260 0.69 ALDH1A1 (0.51) MAPTMEN1KMT2AHTTRAB9A
SCHEMBL14405803 0.67 MAPT (0.62) MAPTMEN1KMT2AHTTMAPK1
SCHEMBL11863928 0.67 RAB9A (0.70) MAPTMEN1KMT2AMAPK1RAB9A
SCHEMBL15572564 0.66 SMN1; SMN2 (0.49) TSHRMAPTMEN1KMT2AMAPK1
SCHEMBL8926778 0.66 ALDH1A1 (0.47) TSHRMAPTMEN1KMT2AHTT
SCHEMBL16488795 0.66 MEN1 (0.51) MAPTMEN1KMT2AHTTMAPK1
SCHEMBL4812907 0.66 MEN1 (0.55) MAPTMEN1KMT2AMAPK1RAB9A
SCHEMBL15615835 0.65 NPC1 (0.48) MAPTMEN1KMT2AMAPK1RAB9A

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
US-4331466-A POST EMERGENCE POST FLOOD WEED CONTROL STAUFFER CHEMICAL COMPANY (US) 1982-05-25 — — US disclosed
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