SCHEMBL10001925

SCHEMBL10001925

C=C1C=C(C)c2ccc(NC(=O)CN(CCN3CCOCCN(CCN(COC=O)COC=O)CCOCC3)COC=O)cc2N1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PAK1 Q13153 9/20 0.39
▸ RAB9A P51151 1/20 0.37
▸ TSHR P16473 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ TERT O14746 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ CSF1R P07333 1/20 0.34

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
SCHEMBL10001933 0.99 PAK1 (0.40) PAK1RAB9ATSHRPOLBTERT
SCHEMBL10001932 0.90 PAK1 (0.40) PAK1RAB9ATSHRPOLBTERT
SCHEMBL10001922 0.89 PAK1 (0.41) PAK1RAB9ATSHRPOLBTERT
SCHEMBL10001943 0.73 PAK1 (0.31) PAK1RAB9A
SCHEMBL10001944 0.72 PAK1 (0.33) PAK1RAB9A
SCHEMBL12206882 0.71 CA1 (0.43) RAB9A
SCHEMBL10001937 0.71 CASR (0.31) —
SCHEMBL10001921 0.63 TERT (0.48) TSHRPOLBTERTALOX15
SCHEMBL10035654 0.63 TERT (0.55) RAB9ATSHRTERTALOX15
SCHEMBL10001935 0.63 TERT (0.47) PAK1TSHRPOLBTERTALOX15

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-8110404-B2 Luminescent lanthanide binding chelates BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-02-07 — — US disclosed
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