SCHEMBL31473229

SCHEMBL31473229

Cc1cc(C(F)(F)F)nc2ccccc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.58
BACE1 P56817 2/20 0.55
ADORA2A P29274 1/20 0.54
ADORA1 P30542 1/20 0.54
TLR7 Q9NYK1 1/20 0.54
KMT2A Q03164 2/20 0.52
KDM4E B2RXH2 4/20 0.51
MAPT P10636 3/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
POLB P06746 1/20 0.51
RAB9A P51151 1/20 0.51
ADRB2 P07550 1/20 0.50
ALDH1A1 P00352 2/20 0.46
GAA P10253 2/20 0.46
NPFFR1 Q9GZQ6 1/20 0.46
NPFFR2 Q9Y5X5 1/20 0.46
PRNP P04156 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL423741 1.00 CYP1A2 (0.58) CYP1A2BACE1ADORA2AADORA1TLR7
SCHEMBL10336509 0.83 CYP1A2 (0.60) CYP1A2BACE1KMT2AKDM4EMAPT
SCHEMBL11955138 0.83 CYP1A2 (0.60) CYP1A2BACE1KMT2AKDM4EMAPT
SCHEMBL31393171 0.82 CYP1A2 (0.50) CYP1A2BACE1ADORA2AADORA1TLR7
SCHEMBL12961030 0.80 ADRB2 (0.57) TLR7KMT2AKDM4EMAPTL3MBTL1
SCHEMBL18463900 0.80 CYP1A2 (0.56) CYP1A2BACE1KMT2AKDM4EMAPT
SCHEMBL3300391 0.79 BACE1 (0.66) CYP1A2BACE1ADORA2AADORA1TLR7
SCHEMBL28311336 0.79 ADORA2A (0.55) BACE1ADORA2AADORA1TLR7KMT2A
SCHEMBL693661 0.79 NT5E (0.62) BACE1ADORA2AADORA1TLR7KMT2A
Ethane SCHEMBL8441819 0.79 ADORA2A (0.55) BACE1ADORA2AADORA1TLR7KMT2A

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
CN-119403829-A Combination of an antibody specific for a tumor antigen and a CD47 inhibitor 第一三共株式会社 2025-02-07 CN disclosed