SCHEMBL14557512

SCHEMBL14557512

CN(CC(=O)Nc1cccc(-n2nnnc2S)c1)N1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ CRHBP P24387 1/20 0.49
▸ CRHR2 Q13324 1/20 0.49
▸ MAPK1 P28482 1/20 0.45
▸ NPSR1 Q6W5P4 4/20 0.42
▸ MAPT P10636 5/20 0.41
▸ POLB P06746 4/20 0.41
▸ LMNA P02545 4/20 0.41
▸ L3MBTL1 Q9Y468 3/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ USP2 O75604 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ BLM P54132 1/20 0.40
▸ MITF O75030 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ TSHR P16473 2/20 0.39
▸ GAA P10253 2/20 0.39

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
SCHEMBL13683003 0.90 ALDH1A1 (0.48) ALDH1A1RAB9ACRHBPCRHR2MAPK1
SCHEMBL14557510 0.86 ALDH1A1 (0.46) ALDH1A1RAB9ACRHBPCRHR2MAPK1
SCHEMBL14557521 0.85 ALDH1A1 (0.47) ALDH1A1RAB9ACRHBPCRHR2MAPK1
SCHEMBL14093905 0.83 RAB9A (0.42) ALDH1A1RAB9ACRHBPCRHR2MAPK1
SCHEMBL14498626 0.81 ALDH1A1 (0.58) ALDH1A1RAB9ACRHBPCRHR2MAPK1
SCHEMBL14032668 0.79 ALDH1A1 (0.46) ALDH1A1RAB9ACRHBPCRHR2MAPK1
SCHEMBL13092682 0.79 ALDH1A1 (0.37) ALDH1A1RAB9ACRHBPCRHR2MAPK1
SCHEMBL9769965 0.79 ALDH1A1 (0.48) ALDH1A1RAB9ACRHBPCRHR2MAPT
SCHEMBL14498659 0.78 TP53 (0.45) ALDH1A1RAB9ACRHBPCRHR2NPSR1
SCHEMBL10955847 0.78 ALDH1A1 (0.52) ALDH1A1RAB9ACRHBPCRHR2NPSR1

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
US-7186500-B2 Silver halide photographic lightsensitive material FUJI PHOTO FILM CO., LTD. (JP) 2007-03-06 — — US disclosed
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