SCHEMBL11255508

SCHEMBL11255508

CC(C)NCC(=O)Nc1nc2cc3nc(NC(=O)CNC(C)C)sc3cc2s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.49
NPC1 O15118 8/20 0.49
SMN1; SMN2 Q16637 6/20 0.49
ALDH1A1 P00352 3/20 0.49
TP53 P04637 3/20 0.49
ALOX15 P16050 1/20 0.49
MAPK1 P28482 1/20 0.49
CLK1 P49759 1/20 0.48
KMT2A Q03164 1/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
ACP1 P24666 2/20 0.46
MAPT P10636 1/20 0.46
CASP2 P42575 1/20 0.45
TSHR P16473 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MITF O75030 1/20 0.44
POLB P06746 1/20 0.44
APEX1 P27695 1/20 0.44
TDP1 Q9NUW8 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
SCHEMBL19844512 0.85 RAB9A (0.66) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
SCHEMBL26807831 0.82 ALDH1A1 (0.49) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
SCHEMBL11255758 0.81 RAB9A (0.50) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
Hydrochloric Acid SCHEMBL11263726 0.80 RAB9A (0.49) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
SCHEMBL18163646 0.79 DYRK1A (0.69) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
SCHEMBL11253925 0.79 ALDH1A1 (0.50) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
Hydrochloric Acid SCHEMBL18154264 0.78 DYRK1A (0.67) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
Hydrochloric Acid SCHEMBL29699065 0.78 DYRK1A (0.67) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
SCHEMBL11258414 0.77 CASP2 (0.64) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
SCHEMBL11256907 0.77 MGLL (0.49) RAB9ANPC1SMN1; SMN2ALDH1A1CLK1

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-4344946-A ANTIARTHRITICS, ANTIRHEUMATICS BOEHRINGER INGELHEIM GMBH (DE) 1982-08-17 US disclosed