SCHEMBL31035646

SCHEMBL31035646

COc1c(Br)ccc(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c1C=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.40
NQO2 P16083 2/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PRKDC P78527 1/20 0.31
EGFR P00533 1/20 0.31
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TUBB1 Q9H4B7 3/20 0.30
TUBB4A P04350 1/20 0.30
TUBB P07437 1/20 0.30
TUBA3C P0DPH7 1/20 0.30
TUBA1B P68363 1/20 0.30
TUBA4A P68366 1/20 0.30
TUBB4B P68371 1/20 0.30
TUBB3 Q13509 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
SCHEMBL31035638 0.80 HTR6 (0.36) ERN1NPC1ALDH1A1MAPTRAB9A
SCHEMBL7137746 0.79 MEN1 (0.36) NQO2MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL4522331 0.75 ALDH1A1 (0.40) MEN1KMT2ANPC1ALDH1A1MAPT
SCHEMBL30311455 0.75 TUBB4A (0.40) NQO2MEN1KMT2AALDH1A1MAPT
SCHEMBL5552745 0.74 ERN1 (0.61) ERN1PRKDCALDH1A1HTTTUBB1
SCHEMBL5238358 0.74 ERN1 (0.41) ERN1NPC1ALDH1A1MAPTHTT
SCHEMBL13605929 0.73 NQO2 (0.35) NQO2MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL7220710 0.73 PRKDC (0.33) ERN1MEN1KMT2APRKDCALDH1A1
SCHEMBL4423511 0.73 ALDH1A1 (0.55) MEN1KMT2ANPC1ALDH1A1MAPT
SCHEMBL3256391 0.72 EPAS1 (0.36) MEN1KMT2AALDH1A1HTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4680612-A1 CHEMICAL COMPOUNDS AN2 Therapeutics, Inc. (US) 2026-01-21 EP disclosed
WO-2024192309-A1 CHEMICAL COMPOUNDS REACTIVE BIOSCIENCES, INC. (US) 2024-09-19 WO disclosed