SCHEMBL1029024

SCHEMBL1029024

CCCCCCCCCCCCCCC(=NNSC(=O)c1cccc(Br)c1)C(c1ccccn1)c1ccccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 7/20 0.40
▸ NPC1 O15118 4/20 0.40
▸ CYP1A2 P05177 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ AGTR1 P30556 1/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ OGG1 O15527 1/20 0.40
▸ HTT P42858 4/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ KDM4E B2RXH2 3/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ FAAH O00519 2/20 0.35
▸ CES1 P23141 1/20 0.35
▸ ALDH1A1 P00352 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
SCHEMBL1027999 0.87 HSD17B3 (0.41) LMNANPC1CYP1A2RAB9ACYP2C19
SCHEMBL1026097 0.87 CYP1A2 (0.40) LMNANPC1CYP1A2RAB9ACYP2C19
SCHEMBL1023783 0.86 OGG1 (0.54) LMNANPC1CYP1A2RAB9ACYP2C19
SCHEMBL1025805 0.77 SMN1; SMN2 (0.46) LMNACYP1A2RAB9ACYP2C19AGTR1
SCHEMBL1027198 0.75 MAPT (0.45) LMNANPC1CYP1A2RAB9ACYP2C19
SCHEMBL1026536 0.73 NAAA (0.45) LMNANPC1CYP1A2RAB9ACYP2C19
SCHEMBL1026088 0.72 NPC1 (0.56) LMNANPC1CYP1A2RAB9ACYP2C19
SCHEMBL1025204 0.72 MAPT (0.47) LMNANPC1CYP1A2RAB9ACYP2C19
SCHEMBL3966650 0.71 LMNA (0.56) LMNANPC1CYP1A2RAB9ACYP2C19
SCHEMBL1027788 0.71 LMNA (0.43) LMNANPC1CYP1A2RAB9ACYP2C19

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-1608623-B1 METAL ION CHELATORS AND THERAPEUTIC USE THEREOF RICHARDSON DESI RAYMOND (AU) 2011-01-19 — — EP claimed
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