SCHEMBL19222237

SCHEMBL19222237

Cc1cc(C)c(I)c(C(=O)NCCN)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ HTT P42858 1/20 0.42
▸ MAOB P27338 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ LMNA P02545 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ TERT O14746 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ BLM P54132 1/20 0.37
▸ PMP22 Q01453 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ HDAC3 O15379 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HPGD P15428 2/20 0.37
▸ KDM1A O60341 1/20 0.37
▸ KCNA4 P22459 1/20 0.36

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
SCHEMBL15279597 0.74 HDAC3 (0.46) MAOBCYP1A2TSHRNFKB1TERT
SCHEMBL14117366 0.73 SMN1; SMN2 (0.49) SMN1; SMN2HTTNPC1RAB9ALMNA
SCHEMBL24454271 0.73 CSNK2A1 (0.51) SMN1; SMN2HTTRAB9ALMNAKDM4E
SCHEMBL25014999 0.73 KDM4E (0.55) MAOBNPC1RAB9ALMNACYP1A2
SCHEMBL26225948 0.73 THRB (0.40) SMN1; SMN2HTTNPC1RAB9ALMNA
SCHEMBL1003874 0.72 POLB (0.47) SMN1; SMN2HTTMAOBNPC1RAB9A
SCHEMBL28171668 0.72 KDM4E (0.47) LMNAKDM4E
SCHEMBL8604816 0.72 NR5A2 (0.54) SMN1; SMN2MAOBCYP1A2TSHRNFKB1
SCHEMBL11230535 0.71 HPGD (0.64) SMN1; SMN2HTTNPC1RAB9ATSHR
SCHEMBL13962498 0.71 SIGMAR1 (0.55) LMNATSHRHDAC1DRD2DRD4

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-9724434-B2 Lysine oligomer derivative and cartilage tissue marker made thereof NATIONAL UNIVERSITY CORPORATION OKAYAMA UNIVERSITY (JP) 2017-08-08 — — US disclosed
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