SCHEMBL30050422

SCHEMBL30050422

N=C(Nc1ccccc1F)Nc1ccccc1F

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.61
NPC1 O15118 8/20 0.61
SMN1; SMN2 Q16637 5/20 0.61
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
HTT P42858 3/20 0.50
ALDH1A1 P00352 4/20 0.48
POLB P06746 1/20 0.48
MAPT P10636 3/20 0.47
GAA P10253 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
LMNA P02545 1/20 0.46
PDK1 Q15118 1/20 0.46
PDK2 Q15119 1/20 0.46
PDK3 Q15120 1/20 0.46
PDK4 Q16654 1/20 0.46

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
SCHEMBL173455 1.00 RAB9A (0.61) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL29278834 0.90 NPC1 (0.57) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL4100748 0.84 RAB9A (0.50) RAB9ANPC1SMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL16701880 0.82 RAB9A (0.48) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL4682179 0.82 RAB9A (0.48) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL29430234 0.82 RAB9A (0.48) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL11879308 0.82 RAB9A (0.57) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL31607070 0.82 RAB9A (0.57) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL4100747 0.81 RAB9A (0.56) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL28014771 0.80 RAB9A (0.55) RAB9ANPC1SMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4359111-A1 MBZA/PEG ETHYL ETHER BASED LIQUID SOLVENT CO2 CAPTURE IN ROTATING PACKED BED Research Triangle Institute (US) 2024-05-01 EP disclosed
CN-117597184-A MBZA/PEG diethyl ether based liquid solvent CO in a rotating packed bed 2 Capturing 研究三角协会 2024-02-23 CN disclosed
WO-2022269546-A1 MBZA/PEG ETHYL ETHER BASED LIQUID SOLVENT CO2 CAPTURE IN ROTATING PACKED BED RESEARCH TRIANGLE INSTITUTE (US) 2022-12-29 WO disclosed