SCHEMBL29270801

SCHEMBL29270801

CC(C)(C[C@H]1CSc2cc(F)c(F)cc2NC1=O)NC(=O)O

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAPT P10636 2/20 0.32
▸ HSD17B10 Q99714 3/20 0.31
▸ TP53 P04637 2/20 0.31
▸ HTT P42858 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC8 Q9BY41 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ TSHR P16473 1/20 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
SCHEMBL29270708 0.91 TP53 (0.34) LMNASMN1; SMN2POLBMAPTTP53
SCHEMBL29270754 0.89 AKR1B1 (0.32) LMNA
SCHEMBL29270822 0.82 PLAT (0.30) —
SCHEMBL29270724 0.82 SSTR4 (0.36) LMNASMN1; SMN2POLBMAPTTP53
SCHEMBL29270742 0.81 HDAC1 (0.41) LMNASMN1; SMN2POLBMAPTHSD17B10
SCHEMBL29270820 0.79 HDAC1 (0.33) HDAC1HDAC8HDAC6
SCHEMBL29270794 0.78 HDAC1 (0.39) LMNASMN1; SMN2POLBMAPTHSD17B10
SCHEMBL29270739 0.78 — —
SCHEMBL29270757 0.75 CYP2C9 (0.33) —
SCHEMBL26962099 0.69 GAA (0.44) LMNASMN1; SMN2HTT

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
CN-116964048-A Bicyclic tetrahydroazepine derivatives for the treatment of cancer 豪夫迈·罗氏有限公司 2023-10-27 — — CN disclosed
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