SCHEMBL24568366

SCHEMBL24568366

CC(C)NC(=O)N(C)Cc1cccnc1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.60
RIPK1 Q13546 1/20 0.56
NAMPT P43490 1/20 0.55
CHRNB2 P17787 2/20 0.53
CHRNA4 P43681 2/20 0.53
PTGES O14684 4/20 0.52
ACACB O00763 1/20 0.51
AKR1C3 P42330 2/20 0.48
PKM P14618 2/20 0.48
KMT2A Q03164 1/20 0.48
ADAM17 P78536 1/20 0.47
ALDH1A1 P00352 3/20 0.46
HPGD P15428 1/20 0.46
ALOX12 P18054 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
MMP13 P45452 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
SCHEMBL7305512 0.87 LMNA (0.58) LMNARIPK1NAMPTCHRNB2CHRNA4
SCHEMBL7305521 0.87 LMNA (0.58) LMNARIPK1NAMPTCHRNB2CHRNA4
SCHEMBL7311229 0.84 LMNA (0.53) LMNARIPK1NAMPTCHRNB2CHRNA4
SCHEMBL7311226 0.84 LMNA (0.53) LMNARIPK1NAMPTCHRNB2CHRNA4
SCHEMBL7670730 0.83 SMN1; SMN2 (0.58) LMNARIPK1CHRNB2CHRNA4PTGES
SCHEMBL28336676 0.82 RIPK1 (0.52) LMNARIPK1NAMPTCHRNB2CHRNA4
SCHEMBL12890606 0.82 NPC1 (0.61) PTGESKMT2AHPGD
SCHEMBL13266974 0.81 RIPK1 (0.60) LMNARIPK1NAMPTCHRNB2CHRNA4
SCHEMBL14540710 0.81 LMNA (0.72) LMNARIPK1NAMPTCHRNB2CHRNA4
SCHEMBL13244885 0.80 RIPK1 (0.63) LMNARIPK1NAMPTCHRNB2CHRNA4

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-2022140428-A2 INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. (US) 2022-06-30 WO disclosed