SCHEMBL20177573

SCHEMBL20177573

COc1cccc(Br)c1NC(=N)C1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ KMT2A Q03164 2/20 0.37
▸ HPGD P15428 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ PDE4D Q08499 2/20 0.36
▸ PDE4A P27815 1/20 0.36

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
SCHEMBL20177562 0.87 SMN1; SMN2 (0.46) SMN1; SMN2KDM4EGAAKMT2AHPGD
SCHEMBL20166584 0.83 SMN1; SMN2 (0.60) SMN1; SMN2KDM4EKMT2AHPGDMEN1
SCHEMBL20177576 0.80 SMN1; SMN2 (0.41) SMN1; SMN2KDM4EGAAKMT2AHPGD
SCHEMBL20166559 0.80 SMN1; SMN2 (0.41) SMN1; SMN2KDM4EGAAKMT2AHPGD
SCHEMBL20166557 0.80 SMN1; SMN2 (0.41) SMN1; SMN2KDM4EGAAKMT2AHPGD
SCHEMBL19573914 0.72 ITGB1 (0.40) SMN1; SMN2KDM4EGAAKMT2AHPGD
SCHEMBL19573915 0.72 ITGB1 (0.40) SMN1; SMN2KDM4EGAAKMT2AHPGD
SCHEMBL9191011 0.71 MAPK1 (0.47) SMN1; SMN2KDM4EKMT2AHPGDMEN1
SCHEMBL11422545 0.69 ATM (0.47) SMN1; SMN2KMT2AMEN1NPC1ALDH1A1
SCHEMBL20166840 0.69 SMN1; SMN2 (0.64) SMN1; SMN2KDM4EKMT2AHPGDMEN1

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-2018093577-A1 CYCLOALKYL SUBSTITUTED TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2018-05-24 — — WO disclosed
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