SCHEMBL22791569

SCHEMBL22791569

C=Nc1ccc(Cl)cc1NCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 4/20 0.35
▸ SMN1; SMN2 Q16637 4/20 0.35
▸ LMNA P02545 3/20 0.35
▸ TSHR P16473 2/20 0.35
▸ EGFR P00533 1/20 0.35
▸ MEN1 O00255 4/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ POLB P06746 3/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ CYP3A4 P08684 1/20 0.33
▸ RECQL P46063 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ NFKB1 P19838 1/20 0.32
▸ CASP3 P42574 1/20 0.32
▸ CDK9 P50750 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ CDK5 Q00535 1/20 0.32
▸ NFKB2 Q00653 1/20 0.32

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
SCHEMBL22791511 0.81 CYP3A4 (0.39) GAASMN1; SMN2LMNATSHRKDM4E
SCHEMBL24292050 0.79 STAT3 (0.36) GAASMN1; SMN2LMNATSHRMEN1
SCHEMBL20931145 0.79 KDM4E (0.36) GAALMNATSHRMEN1KMT2A
SCHEMBL3789681 0.77 SMN1; SMN2 (0.44) GAASMN1; SMN2LMNATSHRMEN1
SCHEMBL3398998 0.75 MEN1 (0.50) GAASMN1; SMN2LMNATSHRMEN1
SCHEMBL1645546 0.73 TSHR (0.60) GAALMNATSHRPOLBKDM4E
SCHEMBL19827908 0.73 IDO1 (0.40) SMN1; SMN2LMNATSHRMEN1KMT2A
SCHEMBL12895731 0.73 ALDH1A1 (0.40) GAASMN1; SMN2LMNATSHRMEN1
Hydrochloric Acid SCHEMBL6518247 0.73 MEN1 (0.48) GAASMN1; SMN2LMNATSHRMEN1
SCHEMBL16268635 0.72 MEN1 (0.39) GAASMN1; SMN2LMNATSHREGFR

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-2020252205-A1 INHIBITORS OF INTEGRATED STRESS RESPONSE PATHWAY Praxis Biotech LLC (US) 2020-12-17 — — WO disclosed
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