SCHEMBL6009221

SCHEMBL6009221

CC(=O)Nc1ccc(C(=N)NOCC(O)CN2CCCCC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 9/20 0.52
▸ TSHR P16473 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ MAPT P10636 3/20 0.48
▸ LMNA P02545 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ RECQL P46063 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ HTT P42858 1/20 0.45
▸ USP2 O75604 1/20 0.44

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
Hydrochloric Acid SCHEMBL7486372 0.99 ABCB1 (0.51) ABCB1TSHRHSD17B10ALDH1A1KDM4E
SCHEMBL5698929 0.82 ABCB1 (0.57) ABCB1TSHRHSD17B10KDM4ESMN1; SMN2
SCHEMBL15445664 0.80 TSHR (0.72) ABCB1TSHRHSD17B10ALDH1A1KDM4E
SCHEMBL8206119 0.80 ATM (0.48) ABCB1TSHRALDH1A1KDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL3072574 0.79 LMNA (0.48) ABCB1ALDH1A1KDM4EMAPTLMNA
SCHEMBL7534159 0.77 KDM4E (0.62) ABCB1TSHRHSD17B10ALDH1A1KDM4E
SCHEMBL7523557 0.75 POLB (0.55) ABCB1TSHRHSD17B10ALDH1A1KDM4E
Bgp-15 SCHEMBL2325445 0.74 ABCB1 (0.46) ABCB1TSHRKDM4ESMN1; SMN2CYP2D6
Bgp-15 SCHEMBL29358886 0.74 ABCB1 (0.46) ABCB1TSHRKDM4ESMN1; SMN2CYP2D6
SCHEMBL8610389 0.74 KDM4E (0.57) ABCB1TSHRHSD17B10ALDH1A1KDM4E

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-7148239-B2 Method of enhancing cellular production of molecular chaperon, hydroxylamine derivatives useful for enhancing the chaperon production and the preparation thereof CYTRX CORPORATION (US) 2006-12-12 — — US disclosed
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