SCHEMBL29977651

SCHEMBL29977651

NNC(=O)c1cccc(C(=O)O)n1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.68
ALOX15 P16050 1/20 0.68
TSHR P16473 1/20 0.68
ACMSD Q8TDX5 1/20 0.68
TDP1 Q9NUW8 1/20 0.68
P2RX7 Q99572 3/20 0.65
CA1 P00915 7/20 0.54
CA2 P00918 7/20 0.54
POLB P06746 1/20 0.53
ALDH1A1 P00352 1/20 0.53
GAA P10253 1/20 0.53
MAPT P10636 1/20 0.53
LMNA P02545 1/20 0.50

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
SCHEMBL26607908 1.00 KDM4E (0.68) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL1142172 0.92 P2RX7 (0.74) KDM4EALOX15TSHRACMSDTDP1
Dipicolinic Acid SCHEMBL720696 0.82 KDM4E (1.00) KDM4EALOX15TSHRACMSDTDP1
Dipicolinic Acid SCHEMBL34595 0.82 KDM4E (1.00) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL18246383 0.82 P2RX7 (0.68) KDM4EALOX15TSHRACMSDTDP1
SCHEMBL18519145 0.82 P2RX7 (0.68) KDM4EALOX15TSHRACMSDTDP1
3-Hydroxybenzaldehyde SCHEMBL26607913 0.81 P2RX7 (0.46) KDM4EALOX15TSHRACMSDTDP1
Dipicolinic Acid SCHEMBL6561776 0.80 KDM4E (0.94) KDM4EALOX15TSHRACMSDTDP1
Dipicolinic Acid SCHEMBL890375 0.80 KDM4E (0.94) KDM4EALOX15TSHRACMSDTDP1
Dipicolinic Acid SCHEMBL2276248 0.80 KDM4E (0.94) KDM4EALOX15TSHRACMSDTDP1

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-115504986-B Apoptosis signal regulating kinase inhibitor and preparation method and application thereof 江苏豪森药业集团有限公司 2024-05-14 CN disclosed
CN-115504986-A Apoptosis signal regulating kinase inhibitor and preparation method and application thereof 江苏豪森药业集团有限公司 2022-12-23 CN disclosed
CN-111094250-B Apoptosis signal regulating kinase inhibitor and preparation method and application thereof 江苏豪森药业集团有限公司 2022-11-04 CN disclosed