SCHEMBL28129354

SCHEMBL28129354

CCCN(Cc1ccccc1)C(=N)NC(=N)NCl

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 3/20 0.44
▸ GRIN3B O60391 3/20 0.44
▸ GRIN1 Q05586 3/20 0.44
▸ GRIN2A Q12879 3/20 0.44
▸ GRIN2B Q13224 3/20 0.44
▸ GRIN2C Q14957 3/20 0.44
▸ GRIN3A Q8TCU5 3/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ KMT2A Q03164 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ LMNA P02545 5/20 0.42
▸ LIMK1 P53667 2/20 0.41
▸ PKM P14618 1/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MGLL Q99685 1/20 0.38
▸ LIMK2 P53671 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
SCHEMBL11834236 0.80 HDAC1 (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL14694148 0.79 ALDH1A1 (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1176293 0.74 HDAC6 (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL17289520 0.72 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL574486 0.71 LMNA (0.61) ALDH1A1KMT2AHDAC1HDAC6LMNA
SCHEMBL10830593 0.71 SIGMAR1 (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL18748853 0.70 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL13584266 0.70 SIGMAR1 (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11265500 0.69 POLB (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL13584552 0.69 SIGMAR1 (0.44) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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
CN-106458868-A Guanidine compounds and uses thereof 伊谬诺米特医疗有限公司 2017-02-22 — — CN claimed
CN-106458868-A Guanidine compounds and uses thereof 伊谬诺米特医疗有限公司 2017-02-22 — — CN disclosed
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