SCHEMBL7145894

SCHEMBL7145894

CCOC(=O)c1c(C)ncn1Cc1ccc2c(c1)N(COC)c1nccnc1S2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 3/20 0.40
LMNA P02545 5/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
RECQL P46063 1/20 0.35
MAPK10 P53779 1/20 0.35
PABPC1 P11940 2/20 0.35
APOBEC3A P31941 2/20 0.35
EIF4H Q15056 2/20 0.35
APOBEC3G Q9HC16 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 1/20 0.34
TP53 P04637 4/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
MDM2 Q00987 1/20 0.32
TUBB4A P04350 1/20 0.31
TUBB P07437 1/20 0.31
TUBA3C P0DPH7 1/20 0.31
TUBA1B P68363 1/20 0.31

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
SCHEMBL6745496 0.90 HDAC6 (0.41) HDAC6LMNAPABPC1MEN1KMT2A
SCHEMBL6745429 0.90 HDAC6 (0.39) HDAC6HDAC3HDAC1
SCHEMBL7149128 0.88 HDAC6 (0.38) HDAC6LMNASMN1; SMN2RECQLMAPK10
SCHEMBL6745421 0.84 HDAC6 (0.39) HDAC6HDAC3HDAC1
SCHEMBL6749007 0.83 HDAC6 (0.37) HDAC6
SCHEMBL6750215 0.82 HDAC6 (0.36) HDAC6
SCHEMBL6745546 0.81 HDAC6 (0.38) HDAC6
SCHEMBL6752124 0.81 HDAC6 (0.36) HDAC6
SCHEMBL6745707 0.81 HDAC6 (0.39) HDAC6HDAC3HDAC1
SCHEMBL6749473 0.80 HDAC6 (0.35) HDAC6

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
US-6518423-B1 These compounds are useful as drugs efficacious in the prevention and treatment of these various inflammatory diseases and immunologic diseases, such as rheumatoid arthritis, atopic dermatitis, psoriasis, asthma, and EISAI CO., LTD. (JP) 2003-02-11 US disclosed