SCHEMBL11187997

SCHEMBL11187997

CCC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1nncs1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.66
▸ KMT2A Q03164 2/20 0.66
▸ LMNA P02545 1/20 0.66
▸ CTSL P07711 3/20 0.62
▸ CTSS P25774 3/20 0.62
▸ CTSB P07858 3/20 0.62
▸ CTSK P43235 3/20 0.51
▸ CYP3A4 P08684 2/20 0.51
▸ CYP2D6 P10635 2/20 0.51
▸ CYP2C9 P11712 2/20 0.51
▸ CYP2C19 P33261 2/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ CASP3 P42574 2/20 0.51
▸ MME P08473 1/20 0.48
▸ ECE1 P42892 1/20 0.48
▸ ATM Q13315 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ POLB P06746 1/20 0.46

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
SCHEMBL11188002 1.00 MEN1 (0.66) MEN1KMT2ALMNACTSLCTSS
SCHEMBL11189117 0.91 MEN1 (0.53) MEN1KMT2ALMNACTSLCTSS
SCHEMBL11189108 0.91 MEN1 (0.53) MEN1KMT2ALMNACTSLCTSS
SCHEMBL11194939 0.82 CTSK (0.62) CTSLCTSSCTSBCTSK
SCHEMBL11194945 0.82 CTSK (0.62) CTSLCTSSCTSBCTSK
SCHEMBL11184923 0.81 TACR1 (0.57) CTSLCTSSCTSBCTSK
SCHEMBL2446560 0.80 CTSL (0.80) MEN1KMT2ALMNACTSLCTSS
SCHEMBL8708271 0.79 MEN1 (0.60) MEN1KMT2ALMNACTSLCTSS
SCHEMBL6962422 0.79 MEN1 (0.60) MEN1KMT2ALMNACTSLCTSS
SCHEMBL8658774 0.79 MEN1 (0.74) MEN1KMT2ALMNACTSLCTSS

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-4382142-A ANTITUMOR AND ANTICARCINOGENIC AGENTS; LEUKEMIA KOWA CO., LTD. (JP) 1983-05-03 — — US disclosed
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