SCHEMBL6810994

SCHEMBL6810994

O=C(O)c1ccc(CNCc2ccc(Cc3ccccc3)cc2)o1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 1/20 0.56
▸ CA2 P00918 1/20 0.56
▸ LDHA P00338 1/20 0.52
▸ LDHB P07195 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.50
▸ HDAC8 Q9BY41 2/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.47
▸ KMT2A Q03164 3/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ POLB P06746 2/20 0.44
▸ APOBEC3A P31941 1/20 0.44
▸ CTDSP1 Q9GZU7 1/20 0.44
▸ APOBEC3G Q9HC16 1/20 0.44
▸ ATM Q13315 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ HDAC3 O15379 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ NPC1 O15118 1/20 0.43

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
SCHEMBL6815676 0.83 ALDH1A1 (0.52) CA1CA2TDP1KMT2AMEN1
SCHEMBL3532005 0.81 TDP1 (0.62) TDP1KMT2AALDH1A1POLBSMN1; SMN2
Hydrochloric Acid SCHEMBL4672680 0.80 TDP1 (0.60) TDP1KMT2AALDH1A1POLBSMN1; SMN2
SCHEMBL16296096 0.79 CA1 (0.64) CA1CA2LDHALDHBTDP1
SCHEMBL18263633 0.77 SMN1; SMN2 (0.68) CA1CA2HDAC6ALDH1A1POLB
Diphenylmethane SCHEMBL11159603 0.75 MEN1 (0.67) CA1CA2TDP1HDAC8HDAC6
SCHEMBL28807804 0.75 CA1 (0.59) CA1CA2LDHALDHBTDP1
SCHEMBL13614230 0.74 TDP1 (0.53) TDP1KMT2AMEN1ALDH1A1POLB
SCHEMBL6815374 0.74 POLB (0.73) TDP1KMT2AMEN1ALDH1A1POLB
SCHEMBL3562210 0.74 TDP1 (0.67) TDP1KMT2AALDH1A1POLBCTDSP1

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
WO-2004012656-A2 THIOPHENE AND FURAN DERIVATIVES AS PROSTAGLANDIN AGONISTS AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2004-02-12 — — WO claimed
WO-2004012656-A2 THIOPHENE AND FURAN DERIVATIVES AS PROSTAGLANDIN AGONISTS AND USE THEREOF APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2004-02-12 — — WO disclosed
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