SCHEMBL8339124

SCHEMBL8339124

Nc1ccccc1CNNC(F)Cc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 2/20 0.36
EPHX1 P07099 1/20 0.36
POLB P06746 2/20 0.35
LMNA P02545 2/20 0.35
SIGMAR1 Q99720 3/20 0.34
SLC6A2 P23975 2/20 0.34
TAAR1 Q96RJ0 2/20 0.34
MAOA P21397 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
CYP2A6 P11509 1/20 0.34
ADORA2A P29274 1/20 0.34
ADORA1 P30542 1/20 0.34
MAPK1 P28482 1/20 0.34
LAP3 P28838 3/20 0.33
ANPEP P15144 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL9045315 0.76 IDO1 (0.46) NSD2POLBLMNASIGMAR1KMT2A
SCHEMBL31125781 0.69 FDPS (0.41) NSD2POLBLMNASIGMAR1KMT2A
SCHEMBL6280288 0.69 PKM (0.58) POLBMAOAKMT2A
SCHEMBL11100773 0.66 ALDH1A1 (0.41) SLC6A2SLC6A4SLC6A3
SCHEMBL6894923 0.66 BCHE (0.47) EPHX1ANPEP
SCHEMBL3349188 0.66 BCHE (0.47) EPHX1ANPEP
SCHEMBL11144134 0.66 ALOX15 (0.41) POLBSIGMAR1SLC6A2TAAR1SLC6A4
SCHEMBL2129001 0.65 TSHR (0.52) SLC6A2SLC6A4SLC6A3
SCHEMBL18995780 0.64 SIGMAR1 (0.59) EPHX1SIGMAR1SLC6A2TAAR1MAOA
SCHEMBL28354630 0.64 HRAS (0.49) NSD2POLBMAOANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999031506-A9 PARALLEL SOLUTION PHASE SYNTHESIS OF LACTAMS LILLY CO ELI (US) 1999-09-16 WO disclosed
WO-1999031506-A1 PARALLEL SOLUTION PHASE SYNTHESIS OF LACTAMS ELI LILLY AND COMPANY (US) 1999-06-24 WO disclosed
WO-1999002990-A1 COMBINATORIAL PROCESS FOR PREPARING FUSED SUBSTITUTED PYRIMIDINE LIBRARIES ELI LILLY AND COMPANY (US) 1999-01-21 WO disclosed
WO-1998008839-A1 COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED THIOPHENE LIBRARIES ELI LILLY AND COMPANY (US) 1998-03-05 WO disclosed