SCHEMBL29908911

SCHEMBL29908911

Brc1ccc2[nH]cnc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.52
PIM1 P11309 1/20 0.52
AKT1 P31749 1/20 0.52
FLT3 P36888 1/20 0.52
PIM3 Q86V86 1/20 0.52
MAPT P10636 4/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
APEX1 P27695 1/20 0.47
RECQL P46063 1/20 0.47
BLM P54132 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
FBP1 P09467 1/20 0.46
EPHB2 P29323 1/20 0.46
MKNK1 Q9BUB5 1/20 0.46
QPCT Q16769 1/20 0.45
PRKCI P41743 1/20 0.44
RAD52 P43351 1/20 0.42
CYP2A6 P11509 1/20 0.42
AHR P35869 1/20 0.42

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
SCHEMBL10757 1.00 CHEK1 (0.52) CHEK1PIM1AKT1FLT3PIM3
Benzimidazole SCHEMBL26920544 0.91 CHEK1 (0.45) CHEK1PIM1AKT1FLT3PIM3
SCHEMBL20514058 0.89 CHEK1 (0.47) CHEK1PIM1AKT1FLT3PIM3
SCHEMBL29467513 0.83 PRKCI (0.59) CHEK1PIM1AKT1FLT3PIM3
SCHEMBL110207 0.83 PRKCI (0.59) CHEK1PIM1AKT1FLT3PIM3
Hydrochloric Acid SCHEMBL16011437 0.81 KDM4E (0.60) CHEK1PIM1AKT1FLT3PIM3
SCHEMBL28178103 0.80 IDO1 (0.50) CHEK1PIM1AKT1FLT3PIM3
SCHEMBL28076068 0.79 QPCT (0.41) CHEK1PIM1AKT1FLT3PIM3
SCHEMBL6008269 0.77 MAPT (0.50) MAPTKDM4EALDH1A1APEX1RECQL
SCHEMBL31143361 0.77 MAPT (0.50) MAPTKDM4EALDH1A1APEX1RECQL

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-4304765-A1 SPACER FOR A SPIRAL WOUND MEMBRANE Evove Ltd (GB) 2024-01-17 EP disclosed
WO-2022189785-A1 SPACER FOR A SPIRAL WOUND MEMBRANE EVOVE LTD (GB) 2022-09-15 WO disclosed