SCHEMBL8506457

SCHEMBL8506457

Cc1ccc(C(=O)c2c(Cl)cc(Cl)cc2Cl)cc1Cn1ncccc1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 1/20 0.39
▸ MRGPRX4 Q96LA9 1/20 0.37
▸ MEN1 O00255 5/20 0.36
▸ KMT2A Q03164 5/20 0.36
▸ TP53 P04637 3/20 0.36
▸ MAPT P10636 1/20 0.36
▸ DOT1L Q8TEK3 1/20 0.35
▸ PTGDR2 Q9Y5Y4 1/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ GALR3 O60755 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ NR2F2 P24468 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ GPR139 Q6DWJ6 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ POLB P06746 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ SLC22A12 Q96S37 1/20 0.33
▸ MAPK1 P28482 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
SCHEMBL8504729 0.90 IDO1 (0.41) IDO1MEN1KMT2ATP53MAPT
SCHEMBL8502514 0.87 IDO1 (0.40) IDO1MRGPRX4MEN1KMT2ATP53
SCHEMBL8502112 0.87 IDO1 (0.40) IDO1DOT1LCYP2C9GALR3CYP3A4
SCHEMBL8505812 0.86 ADRB2 (0.42) IDO1MEN1KMT2ATP53MAPT
SCHEMBL8503797 0.84 MAPK1 (0.44) IDO1KMT2ATP53MAPTSMN1; SMN2
SCHEMBL8505637 0.84 IDO1 (0.35) IDO1MEN1KMT2ATP53MAPT
SCHEMBL8505614 0.82 NLRP3 (0.41) IDO1TP53MAPTSMN1; SMN2HIF1A
SCHEMBL8503177 0.81 POLB (0.38) IDO1MEN1KMT2AMAPTPOLB
SCHEMBL8503700 0.80 POLB (0.43) IDO1MRGPRX4TP53MAPTDOT1L
SCHEMBL8502188 0.79 GAA (0.38) IDO1MEN1KMT2ADOT1LPTGDR2

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-5886178-A ADMINISTERING OF A PROSTAGLANDIN G/H SYNTHASE INHIBITOR TO A PATIENT TO TREAT INFLAMMATORY OR AUTOIMMUNE DISEASES SYNTEX (U.S.A.) INC. (US) 1999-03-23 — — US disclosed
Send feedback