SCHEMBL14943113

SCHEMBL14943113

CC(C(=O)O)c1ccnc(F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 9/20 0.51
AKR1C2 P52895 9/20 0.51
PTGS2 P35354 6/20 0.47
PTGS1 P23219 5/20 0.47
MAPT P10636 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
SLC22A6 Q4U2R8 2/20 0.47
LMNA P02545 2/20 0.47
HPGD P15428 2/20 0.47
HIF1A Q16665 2/20 0.47
PSEN1 P49768 2/20 0.47
PSEN2 P49810 2/20 0.47
APH1B Q8WW43 2/20 0.47
NCSTN Q92542 2/20 0.47
APH1A Q96BI3 2/20 0.47
PSENEN Q9NZ42 2/20 0.47
FABP2 P12104 1/20 0.47

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
SCHEMBL14943595 0.84 APP (0.46) AKR1C3AKR1C2PTGS2PTGS1MEN1
SCHEMBL7962904 0.81 PTGS1 (0.50) AKR1C3AKR1C2PTGS2PTGS1MAPT
SCHEMBL30118429 0.79 CTSA (0.39) AKR1C3AKR1C2CYP2C9CYP3A4SMN1; SMN2
SCHEMBL24031007 0.79 PTGS2 (0.46) AKR1C3AKR1C2PTGS2PTGS1MAPT
SCHEMBL2183698 0.79 AKR1C3 (0.44) AKR1C3AKR1C2PTGS2PTGS1MAPT
SCHEMBL13028939 0.78 TAS1R3 (0.35) AKR1C3AKR1C2MEN1KMT2ACYP2C9
SCHEMBL13069817 0.78 AKR1C3 (0.50) AKR1C3AKR1C2PTGS1AKR1C4AKR1C1
Hydrochloric Acid SCHEMBL6945545 0.77 GABRP (0.49) AKR1C3AKR1C2PTGS2PTGS1MAPT
SCHEMBL84449 0.77 LOXL2 (0.42) PTGS1CYP2C9CYP2C19LMNAHIF1A
SCHEMBL11266102 0.76 AKR1C3 (0.50) AKR1C3AKR1C2PTGS2PTGS1MAPT

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
CN-116209433-B Small molecule albumin binding agents 俄勒冈健康科学大学 2025-05-23 CN disclosed
CN-116209433-A Small molecule albumin binding agents 俄勒冈健康科学大学 2023-06-02 CN disclosed
US-8440666-B2 Pyridazinone compounds and P2X7 receptor inhibitors NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2013-05-14 US disclosed