SCHEMBL14758551

SCHEMBL14758551

Bc1ccc(C(=O)CN2CN(C)c3ccccc32)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALPL P05186 1/20 0.37
▸ ALPG P10696 1/20 0.37
▸ RAB9A P51151 6/20 0.36
▸ NPC1 O15118 5/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ MAPT P10636 3/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ TSHR P16473 1/20 0.35
▸ CXCR3 P49682 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ NFKB1 P19838 1/20 0.34
▸ NFKB2 Q00653 1/20 0.34
▸ RELA Q04206 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34

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 SCHEMBL3854539 0.86 MAPT (0.48) RAB9ANPC1KDM4EMAPTSMN1; SMN2
SCHEMBL14470693 0.85 CXCR3 (0.49) RAB9AKDM4EMAPTSMN1; SMN2ALDH1A1
SCHEMBL17792927 0.78 POLB (0.42) KDM4EMAPTALDH1A1L3MBTL1KMT2A
Bromide SCHEMBL11567156 0.71 MEN1 (0.48) MAPTALDH1A1TSHRKMT2AMEN1
SCHEMBL11995108 0.69 ALDH1A1 (0.43) KDM4EMAPTALDH1A1KMT2AMEN1
SCHEMBL19411245 0.69 ALDH1A1 (0.39) KDM4EMAPTALDH1A1KMT2AMEN1
SCHEMBL3457356 0.68 ALDH1A1 (0.42) KDM4EMAPTALDH1A1KMT2AMEN1
SCHEMBL30463973 0.68 ALDH1A1 (0.42) KDM4EMAPTALDH1A1KMT2AMEN1
Hydrochloric Acid SCHEMBL3849376 0.68 RAB9A (0.48) RAB9ANPC1KDM4EMAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL14778159 0.67 ALDH1A1 (0.38) KDM4EMAPTALDH1A1KMT2AMEN1

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-2013033037-A2 NOVEL ANTIPRION COMPOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-03-07 — — WO disclosed
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