SCHEMBL21912002

SCHEMBL21912002

CC(=O)c1cccc2ccc(C=O)nc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCR1 P32246 1/20 0.55
▸ FGFR4 P22455 1/20 0.49
▸ MAPKAPK2 P49137 1/20 0.49
▸ PARP1 P09874 5/20 0.45
▸ ALDH1A1 P00352 3/20 0.41
▸ PFKFB3 Q16875 3/20 0.39
▸ KDM4E B2RXH2 4/20 0.38
▸ SMN1; SMN2 Q16637 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPT P10636 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ HPGD P15428 2/20 0.37
▸ TP53 P04637 1/20 0.37

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
SCHEMBL8486944 0.85 CCR1 (0.57) CCR1FGFR4MAPKAPK2PARP1ALDH1A1
SCHEMBL29956461 0.85 CCR1 (0.57) CCR1FGFR4MAPKAPK2PARP1ALDH1A1
SCHEMBL21912603 0.83 CCR1 (0.50) CCR1FGFR4MAPKAPK2PARP1ALDH1A1
SCHEMBL6112866 0.77 PARP1 (0.49) PARP1ALDH1A1KDM4EKMT2AMEN1
SCHEMBL29103150 0.76 PARP1 (0.47) PARP1ALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL15228723 0.76 PARP1 (0.47) PARP1ALDH1A1KDM4EKMT2AMEN1
SCHEMBL28932903 0.76 PARP1 (0.47) PARP1ALDH1A1KDM4EKMT2AMEN1
SCHEMBL29406155 0.75 KDM4E (0.64) CCR1ALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL6176904 0.75 CCR1 (0.63) CCR1FGFR4MAPKAPK2PARP1ALDH1A1
SCHEMBL29694379 0.75 KDM4E (0.64) CCR1ALDH1A1KDM4ESMN1; SMN2KMT2A

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
WO-2020072907-A1 SOLID-PHASE N-TERMINAL PEPTIDE CAPTURE AND RELEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2020-04-09 — — WO disclosed
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