SCHEMBL25210450

SCHEMBL25210450

O=C(O)NCc1cc(F)c(Br)cc1F

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FPR3 P25089 1/20 0.41
FPR2 P25090 1/20 0.41
P2RX7 Q99572 4/20 0.36
AKR1B1 P15121 3/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ERCC1 P07992 1/20 0.35
ERCC4 Q92889 1/20 0.35
EPHX2 P34913 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
TTR P02766 1/20 0.35
AKR1A1 P14550 1/20 0.34
CHRM4 P08173 1/20 0.34

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
SCHEMBL22659666 0.86 KDM1A (0.39) P2RX7NPC1RAB9AEPHX2NR1H4
SCHEMBL3559618 0.85 CHRM4 (0.42) P2RX7RAB9AERCC1ERCC4EPHX2
SCHEMBL19212131 0.83 HDAC1 (0.36) FPR3FPR2NPC1RAB9A
SCHEMBL27150864 0.81 CYP1A2 (0.33) FPR3FPR2P2RX7AKR1B1RAB9A
SCHEMBL2965399 0.77 AKR1B1 (0.55) FPR3FPR2P2RX7AKR1B1EPHX2
SCHEMBL2526148 0.77 SETDB1 (0.43) P2RX7AKR1B1NPC1RAB9ATTR
SCHEMBL25574990 0.77 AAK1 (0.49) FPR3FPR2
SCHEMBL3568253 0.76 P2RX7 (0.53) P2RX7AKR1B1EPHX2NR1H4AKR1A1
SCHEMBL31706249 0.76 PTPN7 (0.36) P2RX7EPHX2
SCHEMBL7466464 0.76 CXCL8 (0.39) AKR1B1NPC1RAB9A

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
WO-2023086521-A1 BTK INHIBITORS BIOGEN MA INC. (US) 2023-05-19 WO disclosed