SCHEMBL29908926

SCHEMBL29908926

Cc1ccc2[nH]cnc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.56
CHEK1 O14757 1/20 0.56
PIM1 P11309 1/20 0.56
RPS6KA3 P51812 1/20 0.56
MAPT P10636 3/20 0.47
KDM4E B2RXH2 2/20 0.47
TDP1 Q9NUW8 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
QPCT Q16769 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
RXFP1 Q9HBX9 1/20 0.45
MMP12 P39900 1/20 0.44
PRKCI P41743 1/20 0.44
RAD52 P43351 1/20 0.42
NPC1 O15118 1/20 0.42
GAA P10253 1/20 0.42
RAB9A P51151 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
SCHEMBL15413217 1.00 PARP1 (0.56) PARP1CHEK1PIM1RPS6KA3MAPT
SCHEMBL10903 1.00 PARP1 (0.56) PARP1CHEK1PIM1RPS6KA3MAPT
Iodide SCHEMBL31411483 0.98 PARP1 (0.55) PARP1CHEK1PIM1RPS6KA3MAPT
Bromide SCHEMBL28994954 0.98 PARP1 (0.55) PARP1CHEK1PIM1RPS6KA3MAPT
SCHEMBL28994955 0.92 PARP1 (0.50) PARP1CHEK1PIM1RPS6KA3MAPT
SCHEMBL20514058 0.89 CHEK1 (0.47) PARP1CHEK1PIM1RPS6KA3MAPT
SCHEMBL13373486 0.84 PARP1 (0.46) PARP1CHEK1PIM1RPS6KA3MAPT
SCHEMBL422512 0.83 PRKCI (0.59) PARP1CHEK1PIM1RPS6KA3MAPT
SCHEMBL30100822 0.83 PRKCI (0.59) PARP1CHEK1PIM1RPS6KA3MAPT
SCHEMBL31619933 0.81 PRKCI (0.57) PARP1CHEK1PIM1RPS6KA3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119219694-A Low-dimensional perovskite single crystal, low-dimensional/three-dimensional perovskite thin film, perovskite solar cell and preparation method 郑州大学 2024-12-31 CN disclosed
EP-4304766-A1 MEMBRANE DEVICE Evove Ltd (GB) 2024-01-17 EP disclosed
EP-4304765-A1 SPACER FOR A SPIRAL WOUND MEMBRANE Evove Ltd (GB) 2024-01-17 EP disclosed
WO-2022189793-A1 MEMBRANE DEVICE EVOVE LTD (GB) 2022-09-15 WO disclosed
WO-2022189785-A1 SPACER FOR A SPIRAL WOUND MEMBRANE EVOVE LTD (GB) 2022-09-15 WO disclosed