SCHEMBL11501582

SCHEMBL11501582

CN(CCCN(C(=N)N)C(=O)NC12CC3CC(CC(C3)C1)C2)CCCN(C(=N)N)C(=O)NC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ OPRK1 P41145 1/20 0.41
▸ EPHX2 P34913 10/20 0.40
▸ EPHX1 P07099 2/20 0.39
▸ HDAC3 O15379 1/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC7 Q8WUI4 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC10 Q969S8 1/20 0.38
▸ HDAC11 Q96DB2 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC6 Q9UBN7 1/20 0.38
▸ HDAC9 Q9UKV0 1/20 0.38
▸ HDAC5 Q9UQL6 1/20 0.38
▸ HTT P42858 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36

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
SCHEMBL11573466 0.89 EPHX2 (0.45) EPHX2EPHX1HDAC3HDAC4HDAC1
SCHEMBL11572183 0.82 EPHX2 (0.44) KMT2AEPHX2EPHX1HDAC3HDAC4
SCHEMBL11571508 0.81 EPHX2 (0.44) KMT2AEPHX2EPHX1KDM4E
Hydrochloric Acid SCHEMBL11501893 0.81 KDM4E (0.45) KMT2AEPHX2EPHX1KDM4E
SCHEMBL11573439 0.79 KDM4E (0.45) KMT2AEPHX2EPHX1KDM4E
SCHEMBL11572781 0.78 ALDH1A1 (0.39) KMT2ASMN1; SMN2OPRK1EPHX2EPHX1
SCHEMBL11573353 0.73 KMT2A (0.39) KMT2ASMN1; SMN2EPHX2EPHX1HTT
SCHEMBL3081626 0.70 EPHX2 (0.47) KMT2ASMN1; SMN2EPHX2EPHX1HTT
SCHEMBL11501583 0.69 EPHX2 (0.47) EPHX2HTT
SCHEMBL4017279 0.68 EPHX2 (0.66) EPHX2HDAC3HDAC1HDAC7HDAC2

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
US-4166827-A DENTAL PLAQUE COOPER LABORATORIES, INC. (US) 1979-09-04 — — US claimed
US-4166827-A DENTAL PLAQUE COOPER LABORATORIES, INC. (US) 1979-09-04 — — US disclosed
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