SCHEMBL29010079

SCHEMBL29010079

O=C(O)Cc1ccc(C(F)F)nn1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
PTGS2 P35354 4/20 0.33
AKR1B1 P15121 2/20 0.33
GABRA5 P31644 1/20 0.33
GABRB2 P47870 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PTGS1 P23219 1/20 0.32
CA2 P00918 1/20 0.31
CAMK2A Q9UQM7 1/20 0.31
NAPRT Q6XQN6 1/20 0.31
ALDH1A1 P00352 1/20 0.30
POLB P06746 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
CXCL8 P10145 2/20 0.30

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
SCHEMBL31292506 0.77 MEN1 (0.40) LMNAHSD17B10KDM4ESMN1; SMN2CA2
SCHEMBL26921258 0.76 CCR1 (0.37)
SCHEMBL27947650 0.73 ADORA2A (0.42) LMNAPTGS2AKR1B1GABRA5GABRB2
SCHEMBL27708296 0.72 CA2 (0.40) LMNAAKR1B1GABRA5GABRB2HSD17B10
SCHEMBL17653940 0.71 ALDH1A1 (0.50) LMNAAKR1B1GABRA5GABRB2HSD17B10
SCHEMBL27938492 0.71 GABRA5 (0.48) LMNAAKR1B1GABRA5GABRB2HSD17B10
SCHEMBL26921363 0.71 KDM4E (0.37) LMNAKDM4ESMN1; SMN2NAPRTALDH1A1
SCHEMBL17653892 0.70 RXRA (0.37) LMNAPTGS2AKR1B1GABRA5GABRB2
SCHEMBL28062255 0.69 GABRA5 (0.36) LMNAGABRA5GABRB2HSD17B10KDM4E
SCHEMBL27913820 0.69 MBOAT4 (0.39) LMNAGABRA5GABRB2NAPRTALDH1A1

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 2 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