SCHEMBL6517622

SCHEMBL6517622

Cc1cc(C)nc(N=C(N)Nc2cccc(OCCc3ccccc3)c2)n1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 3/20 0.80
▸ KMT2A Q03164 4/20 0.64
▸ RAB9A P51151 4/20 0.64
▸ MEN1 O00255 3/20 0.64
▸ POLB P06746 2/20 0.64
▸ LMNA P02545 2/20 0.64
▸ NPSR1 Q6W5P4 1/20 0.64
▸ CRHBP P24387 5/20 0.59
▸ CRHR2 Q13324 5/20 0.59
▸ CYP1A2 P05177 1/20 0.59
▸ CYP2D6 P10635 1/20 0.59
▸ NR4A1 P22736 1/20 0.58
▸ RAD52 P43351 1/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ MAPT P10636 1/20 0.55
▸ GAA P10253 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ SIRT2 Q8IXJ6 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ CAMK2D Q13557 1/20 0.47

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
SCHEMBL10498926 0.79 CRHBP (0.83) MAPK1KMT2ARAB9AMEN1POLB
SCHEMBL5923408 0.78 MAPK1 (0.50) MAPK1RAB9ASIRT2ALDH1A1
SCHEMBL6510821 0.77 CRHBP (0.80) MAPK1KMT2ARAB9AMEN1POLB
SCHEMBL3426124 0.75 SIRT2 (0.59) KMT2ARAB9APOLBCYP1A2SIRT2
SCHEMBL27803805 0.73 SIRT2 (0.52) MAPK1RAB9APOLBLMNASMN1; SMN2
SCHEMBL11128203 0.72 RAB9A (0.59) MAPK1KMT2ARAB9AMEN1LMNA
SCHEMBL6513368 0.71 CRHBP (1.00) MAPK1KMT2ARAB9AMEN1POLB
SCHEMBL10388189 0.71 KMT2A (0.66) MAPK1KMT2ARAB9AMEN1POLB
SCHEMBL11159873 0.71 MAPT (0.60) MAPK1KMT2ARAB9AMEN1POLB
SCHEMBL4981988 0.71 MAPK1 (0.69) MAPK1KMT2ARAB9AMEN1POLB

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
WO-2005095345-A2 HETEROARYL GUANIDINES AS INHIBITORS OF VIRAL REPLICATION ACHILLION PHARMACEUTICALS, INC. (US) 2005-10-13 — — WO claimed
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