SCHEMBL11640499

SCHEMBL11640499

CCC(=O)Nc1cc(N)cc(NC(=O)CC)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.56
POLB P06746 3/20 0.56
RAB9A P51151 2/20 0.55
NR4A1 P22736 1/20 0.55
ALDH1A1 P00352 1/20 0.53
CYP3A4 P08684 1/20 0.50
GAA P10253 3/20 0.49
MEN1 O00255 2/20 0.49
LMNA P02545 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
ATM Q13315 1/20 0.47
MAPT P10636 1/20 0.47
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL17933421 0.96 POLB (0.56) KMT2APOLBRAB9ANR4A1ALDH1A1
SCHEMBL3090260 0.89 POLB (0.67) KMT2APOLBRAB9ANR4A1ALDH1A1
SCHEMBL27956572 0.86 POLB (0.47) KMT2APOLBRAB9ANR4A1ALDH1A1
SCHEMBL20568446 0.83 ALDH1A1 (0.54) KMT2APOLBALDH1A1LMNAMAPT
SCHEMBL17265772 0.82 CYP1A2 (0.50) KMT2APOLBRAB9ANR4A1ALDH1A1
SCHEMBL397243 0.81 POLB (0.67) KMT2APOLBRAB9ANR4A1ALDH1A1
SCHEMBL10661926 0.81 CYP1A2 (0.42) KMT2APOLBRAB9ANR4A1ALDH1A1
SCHEMBL12240557 0.81 CYP3A4 (0.59) KMT2APOLBRAB9ANR4A1ALDH1A1
Hydrochloric Acid SCHEMBL8392614 0.80 POLB (0.65) KMT2APOLBRAB9ANR4A1ALDH1A1
SCHEMBL20382857 0.79 KMT2A (0.56) KMT2APOLBRAB9ANR4A1ALDH1A1

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-4127646-A ANTIALLERGENS SMITHKLINE CORPORATION (US) 1978-11-28 US disclosed