SCHEMBL19554146

SCHEMBL19554146

N#Cc1ccc(NC(=O)c2ccc3cc(Br)ccc3c2)c(C(=O)O)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.66
AKR1C2 P52895 4/20 0.54
AKR1C1 Q04828 4/20 0.54
AKR1C4 P17516 1/20 0.54
AKR1C3 P42330 1/20 0.54
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
MAPT P10636 3/20 0.51
TDP1 Q9NUW8 2/20 0.51
ABL1 P00519 1/20 0.51
TSHR P16473 1/20 0.51
RIN1 Q13671 1/20 0.51
ALB P02768 2/20 0.51
KCNK2 O95069 1/20 0.49
KCNK10 P57789 1/20 0.49
F2 P00734 1/20 0.46
PLG P00747 1/20 0.46
PLAU P00749 1/20 0.46
KLKB1 P03952 1/20 0.46
PRSS1 P07477 1/20 0.46

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
SCHEMBL6352338 0.88 KMT2A (0.57) DHODHMEN1KMT2AALBF2
SCHEMBL6352642 0.86 KCNK2 (0.60) DHODHAKR1C2AKR1C1AKR1C4AKR1C3
SCHEMBL19554335 0.86 ALB (0.51) DHODHMEN1KMT2AMAPTTDP1
SCHEMBL19554161 0.86 CA2 (0.56) AKR1C2AKR1C1AKR1C4AKR1C3MEN1
SCHEMBL6359401 0.83 ALB (0.63) MEN1KMT2AMAPTTDP1ALB
SCHEMBL6351365 0.83 AKR1C2 (0.70) DHODHAKR1C2AKR1C1AKR1C4AKR1C3
SCHEMBL19554348 0.83 ALB (0.48) DHODHAKR1C2AKR1C1MEN1KMT2A
SCHEMBL19554148 0.81 DHODH (0.70) DHODHAKR1C2AKR1C1AKR1C4AKR1C3
SCHEMBL6357745 0.81 DHODH (0.78) DHODHAKR1C2AKR1C1AKR1C4AKR1C3
SCHEMBL6346687 0.81 ALB (0.60) AKR1C2AKR1C1AKR1C4AKR1C3MEN1

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
WO-2017192304-A1 ARYLCARBOXAMIDES AND USES THEREOF INCEPTION 1, INC. (US) 2017-11-09 WO claimed
WO-2017192304-A1 ARYLCARBOXAMIDES AND USES THEREOF INCEPTION 1, INC. (US) 2017-11-09 WO disclosed
WO-2017192304-A1 ARYLCARBOXAMIDES AND USES THEREOF INCEPTION 1, INC. (US) 2017-11-09 WO disclosed