SCHEMBL22809642

SCHEMBL22809642

CC(=O)NC1=CC(C(=O)O)=CCN1C

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ NAPRT Q6XQN6 1/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ LMNA P02545 2/20 0.32
▸ MYC P01106 1/20 0.32
▸ GAA P10253 2/20 0.32
▸ NPC1 O15118 2/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ KMT2A Q03164 2/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ TAAR1 Q96RJ0 1/20 0.30

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
SCHEMBL20860643 0.74 NOTUM (0.33) —
SCHEMBL21078781 0.64 KMT2A (0.33) MAPTHSD17B10KDM4ELMNAGAA
SCHEMBL16774650 0.62 — —
SCHEMBL3731943 0.61 — —
SCHEMBL15145221 0.60 CHRM1 (0.32) POLBLMNANPC1KMT2AMEN1
Hydrochloric Acid SCHEMBL6133279 0.59 — —
SCHEMBL22696639 0.58 KDM4C (0.30) —
SCHEMBL2999688 0.57 — —
SCHEMBL13647405 0.57 QDPR (0.40) MAPTKDM4EGAAKMT2AMEN1
SCHEMBL3071609 0.56 LMNA (0.71) MAPTHSD17B10POLBNAPRTKDM4E

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
EP-3487839-B1 AMIDE DERIVATIVES AS NAV1.7 AND NAV1.8 BLOCKERS RAQUALIA PHARMA INC (JP) 2020-12-23 — — EP disclosed
Send feedback