SCHEMBL7906464

SCHEMBL7906464

CCOC(=O)Nc1ccc(F)c(N)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 1/20 0.58
KCNQ2 O43526 1/20 0.58
KCNQ4 P56696 1/20 0.58
KCNQ5 Q9NR82 1/20 0.58
RAB9A P51151 5/20 0.55
NPC1 O15118 4/20 0.55
KDM4E B2RXH2 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
CYP1A2 P05177 3/20 0.52
CYP2C9 P11712 3/20 0.52
CYP2C19 P33261 3/20 0.52
CYP2D6 P10635 2/20 0.52
CYP3A4 P08684 1/20 0.52
HTT P42858 1/20 0.52
HSD17B10 Q99714 4/20 0.51
LMNA P02545 2/20 0.51
MAPT P10636 2/20 0.51
MAPK1 P28482 2/20 0.51
POLB P06746 1/20 0.51
NLRP3 Q96P20 1/20 0.50

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
SCHEMBL31717822 0.86 RAB9A (0.59) KCNQ3KCNQ2KCNQ4KCNQ5RAB9A
SCHEMBL1250083 0.86 RAB9A (0.56) KCNQ3KCNQ2KCNQ4KCNQ5RAB9A
SCHEMBL1274778 0.86 HPGD (0.63) RAB9ANPC1KDM4ESMN1; SMN2CYP1A2
SCHEMBL9515087 0.84 RAB9A (0.55) KCNQ3KCNQ2KCNQ4KCNQ5RAB9A
SCHEMBL10192133 0.84 NPC1 (0.57) KCNQ3KCNQ2KCNQ4KCNQ5RAB9A
Hydrochloric Acid SCHEMBL1250081 0.84 RAB9A (0.55) KCNQ3KCNQ2KCNQ4KCNQ5RAB9A
SCHEMBL2310611 0.84 SMN1; SMN2 (0.50) KCNQ3KCNQ2KCNQ4KCNQ5RAB9A
SCHEMBL27448956 0.82 PPID (0.50) KCNQ3KCNQ2KCNQ4KCNQ5RAB9A
SCHEMBL988800 0.82 KCNQ2 (0.52) KCNQ3KCNQ2KCNQ4KCNQ5RAB9A
SCHEMBL8251624 0.81 SMN1; SMN2 (0.58) RAB9ANPC1KDM4ESMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6218565-B1 1-FLUORO-2,4-DIAMINO-BENZENE IS REACTED WITH SULPHONYL CHLORIDES, CARBONYL CHLORIDES OR CHLORORFORMIC ESTERS IN THE PRESENCE OF AN ACID ACCEPTOR AND IN THE PRESENCE OF A DILUENT BAYER AKTIENGESELLSCHAFT (DE) 2001-04-17 US disclosed
EP-1045829-A1 METHOD FOR PRODUCING N-(3-AMINO-4-FLUOROPHENYL)- SULPHONAMIDES, N-(3-AMINO-4-FLUOROPHENYL) CARBOXYLIC ACID AMIDES AND N-(3-AMINO-4-FLUOROPHENYL) CARBAMATES BAYER AG (DE) 2000-10-25 EP disclosed
WO-1999035122-A1 METHOD FOR PRODUCING N-(3-AMINO-4-FLUOROPHENYL)- SULPHONAMIDES, N-(3-AMINO-4-FLUOROPHENYL) CARBOXYLIC ACID AMIDES AND N-(3-AMINO-4-FLUOROPHENYL) CARBAMATES BAYER AKTIENGESELLSCHAFT (DE) 1999-07-15 WO disclosed