SCHEMBL11258673

SCHEMBL11258673

CCC(N)(CC)C(=O)Nc1nc2cc3nc(NC(=O)C(N)(CC)CC)sc3cc2s1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.51
NPC1 O15118 7/20 0.51
SMN1; SMN2 Q16637 5/20 0.47
ALDH1A1 P00352 2/20 0.47
CLK1 P49759 1/20 0.47
ABL1 P00519 2/20 0.45
DYRK1A Q13627 5/20 0.45
HSD17B10 Q99714 1/20 0.44
PTPN1 P18031 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
SCHEMBL11261919 0.93 RAB9A (0.46) RAB9ANPC1SMN1; SMN2ALDH1A1CLK1
SCHEMBL11264134 0.88 RAB9A (0.49) RAB9ANPC1SMN1; SMN2ALDH1A1CLK1
Hydrochloric Acid SCHEMBL11255070 0.87 RAB9A (0.48) RAB9ANPC1SMN1; SMN2ALDH1A1CLK1
SCHEMBL11254514 0.84 NPC1 (0.57) RAB9ANPC1SMN1; SMN2ALDH1A1CLK1
SCHEMBL11264970 0.83 RAB9A (0.44) RAB9ANPC1SMN1; SMN2ALDH1A1CLK1
SCHEMBL11253920 0.81 NPC1 (0.50) RAB9ANPC1SMN1; SMN2ALDH1A1CLK1
SCHEMBL4496509 0.80 NPC1 (0.69) RAB9ANPC1SMN1; SMN2ABL1
SCHEMBL11262709 0.79 NPC1 (0.45) RAB9ANPC1SMN1; SMN2ALDH1A1HSD17B10
SCHEMBL11255758 0.75 RAB9A (0.50) RAB9ANPC1SMN1; SMN2ALDH1A1CLK1
SCHEMBL11256671 0.74 RAB9A (0.49) RAB9ANPC1SMN1; SMN2ALDH1A1HSD17B10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

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