SCHEMBL6829068

SCHEMBL6829068

Cc1cc(C)nc(N=C(N)NCCc2ccccc2-c2ccc(N(C)C)cc2)n1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.49
▸ CRHBP P24387 5/20 0.46
▸ CRHR2 Q13324 5/20 0.46
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ MAPT P10636 2/20 0.46
▸ POLB P06746 3/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ NR4A1 P22736 1/20 0.38
▸ MAPK1 P28482 3/20 0.38
▸ LMNA P02545 2/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ RAD52 P43351 1/20 0.37
▸ IKBKB O14920 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ HSD17B10 Q99714 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
SCHEMBL6925018 0.80 MEN1 (0.50) RAB9ACRHBPCRHR2MEN1KMT2A
SCHEMBL6828232 0.70 MEN1 (0.47) RAB9ACRHBPCRHR2MEN1KMT2A
SCHEMBL6509819 0.66 RAB9A (1.00) RAB9ACRHBPCRHR2MEN1KMT2A
SCHEMBL10501638 0.66 MAPK1 (0.58) RAB9ACRHBPCRHR2MEN1KMT2A
SCHEMBL10502867 0.66 LMNA (0.57) RAB9ACRHBPCRHR2MEN1KMT2A
SCHEMBL28897071 0.64 ALDH1A1 (0.45) RAB9AMEN1KMT2ASMN1; SMN2MAPT
SCHEMBL6513368 0.63 CRHBP (1.00) RAB9ACRHBPCRHR2MEN1KMT2A
SCHEMBL11994138 0.63 MC4R (0.43) RAB9ACYP2D6ALDH1A1HSD17B10
SCHEMBL10498926 0.62 CRHBP (0.83) RAB9ACRHBPCRHR2MEN1KMT2A
SCHEMBL10388189 0.61 KMT2A (0.66) RAB9ACRHBPCRHR2MEN1KMT2A

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-2004037166-A2 THERAPEUTIC GUANIDINES ISIS PHARMACEUTICALS, INC. (US) 2004-05-06 — — WO disclosed
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