SCHEMBL22095249

SCHEMBL22095249

CNC(C)c1c(C)nc(N)c2cccc(C)c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
PKM P14618 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 2/20 0.33
PSMD14 O00487 1/20 0.33
MITF O75030 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
RAD52 P43351 1/20 0.33
PDPK1 O15530 2/20 0.32
CYP2A6 P11509 2/20 0.32

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
SCHEMBL8489704 0.75 CYP2A6 (0.39) LMNARAB9ASMN1; SMN2NPC1PKM
SCHEMBL2403041 0.70 CA1 (0.42) LMNANFKB1ALDH1A1CYP2A6CYP1A2
SCHEMBL12733667 0.67 SMN1; SMN2 (0.50) LMNARAB9ASMN1; SMN2NPC1PKM
SCHEMBL509508 0.65 CYP3A4 (0.43) LMNAALDH1A1KDM4EPOLBMAPT
SCHEMBL19820327 0.65 SLC6A4 (0.40) ALDH1A1HPGDCYP2A6ELANECTRB1
SCHEMBL17557169 0.64 LMNA (0.46) LMNARAB9ASMN1; SMN2NPC1PKM
SCHEMBL30223245 0.64 HTR3A (0.45) RAB9ASMN1; SMN2NPC1PKMNFKB1
SCHEMBL22025567 0.63 CYP1A2 (0.52) LMNAALDH1A1CYP2A6CYP1A2
SCHEMBL21600931 0.63 ACHE (0.43) RAB9ASMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL7923598 0.62 CYP2A6 (0.44) LMNASMN1; SMN2ALDH1A1KDM4EMAPT

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
EP-3893645-A1 SUBSTITUTED ARYLMETHYLUREAS AND HETEROARYLMETHYLUREAS, ANALOGUES THEREOF, AND METHODS USING SAME Arbutus Biopharma Corporation (CA) 2021-10-20 EP disclosed
WO-2020123674-A1 SUBSTITUTED ARYLMETHYLUREAS AND HETEROARYLMETHYLUREAS, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2020-06-18 WO disclosed