SCHEMBL9412505

SCHEMBL9412505

COC(=O)CCNC(=O)c1ccc2c(c1)nc(CCC1CCNCC1)n2CCCN1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.45
▸ BRD4 O60885 1/20 0.45
▸ CREBBP Q92793 1/20 0.45
▸ USP2 O75604 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ PTGER4 P35408 2/20 0.45
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HDAC1 Q13547 2/20 0.43
▸ HDAC8 Q9BY41 1/20 0.43
▸ KMT2A Q03164 4/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ HPGD P15428 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ PIK3CA P42336 2/20 0.41
▸ ACP1 P24666 1/20 0.40

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
SCHEMBL9412477 0.94 HDAC1 (0.42) BRD4HDAC1HDAC8
SCHEMBL9412609 0.93 HDAC1 (0.44) BRD4HDAC1
Bromide SCHEMBL9412576 0.91 ITGB3 (0.47) TSHRBRD4CREBBPUSP2HTT
SCHEMBL9412697 0.89 SMN1; SMN2 (0.47) TSHRBRD4HDAC1HPGD
SCHEMBL9412515 0.86 JAK2 (0.47) TSHRBRD4
Bromide SCHEMBL9412436 0.86 ITGB3 (0.47) BRD4HDAC1
SCHEMBL9412544 0.85 HDAC1 (0.48) BRD4CYP2D6CYP2C9ALDH1A1HDAC1
Bromide SCHEMBL9412577 0.85 ITGB3 (0.49) BRD4HDAC1HDAC8
SCHEMBL9412623 0.84 MAPT (0.46) BRD4
SCHEMBL9412591 0.82 MAPT (0.51) TSHRUSP2HTTHSD17B10ALDH1A1

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-0611660-A2 Condensed 5-membered heterocycles, process for their preparation and medicines containing these compounds Dr. Karl Thomae GmbH (DE) 1994-08-24 — — EP disclosed
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